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mmcif-tags.tsv
We can make this file beautiful and searchable if this error is corrected: It looks like row 2 should actually have 6 columns, instead of 10 in line 1.
2333 lines (2333 loc) · 322 KB
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mmcif-tags.tsv
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_atom_site.B_iso_or_equiv 100.000 31 11121.24 3968189 2512799354 9GYO {-78.81 - 65896}
_atom_site.B_iso_or_equiv_esd 0.006 1 1100.77 3716 14310 2I17 {0 - 105.5} /459 7454 2I17 0.00 1287 2I17 0.01 374 2I17 0.02
_atom_site.Cartn_x 100.000 31 11121.24 3968189 2512799354 9GYO {-945.549 - 2786.35}
_atom_site.Cartn_x_esd 0.008 1 1709.00 4550 30762 8A9F {0 - 1086.23}
_atom_site.Cartn_y 100.000 31 11121.24 3968189 2512799354 9GYO {-1076.96 - 2234.92}
_atom_site.Cartn_y_esd 0.008 1 1709.00 4550 30762 8A9F {0 - 1475.86}
_atom_site.Cartn_z 100.000 31 11121.24 3968189 2512799354 9GYO {-914.692 - 3017.75}
_atom_site.Cartn_z_esd 0.008 1 1709.00 4550 30762 8A9F {0 - 1045.05}
_atom_site.auth_asym_id 100.000 31 11121.24 3968189 2429911536 9GYO {word} 82887818 9GMO {0 - 611}
_atom_site.auth_atom_id 100.000 31 11121.24 3968189 2512799354 9GYO {word}
_atom_site.auth_comp_id 100.000 31 11121.24 3968189 2512714996 9GYO {word} 84358 9CTX {0 - 9e+09}
_atom_site.auth_seq_id 100.000 31 11121.24 3968189 2512799354 9GYO {-999 - 90801}
_atom_site.calc_flag 0.281 24 4518.14 33577 2864503 9GLE c
_atom_site.fract_x 0.001 893 1124.00 1355 2248 9CTX {-0.702 - 0.663}
_atom_site.fract_y 0.001 893 1124.00 1355 2248 9CTX {-0.757 - 0.125}
_atom_site.fract_z 0.001 893 1124.00 1355 2248 9CTX {-0.552 - 0.345}
_atom_site.group_PDB 100.000 31 11121.24 3968189 2423248224 9GYO ATOM 89551130 9GYO HETATM
_atom_site.id 100.000 31 11121.24 3968189 2512799354 9GYO {1 - 3.96819e+06}
_atom_site.label_alt_id 42.826 1 218.36 161392 20975087 9DUE {word} 153916 9B1V {0 - 5} /37 9589079 9DUE A 9282724 9DUE B 1030259 9DT8 C
_atom_site.label_asym_id 100.000 31 11121.24 3968189 2512799354 9GYO {word}
_atom_site.label_atom_id 100.000 31 11121.24 3968189 2512799354 9GYO {word}
_atom_site.label_comp_id 100.000 31 11121.24 3968189 2512714996 9GYO {word} 84358 9CTX {0 - 9e+09}
_atom_site.label_entity_id 100.000 31 11121.24 3968189 2512799354 9GYO {1 - 455} /455 1680508566 9GYO 1 224600611 9GYO 2 100401272 9GYO 3
_atom_site.label_seq_id 99.988 28 10746.16 3947739 2427772836 9GYO {1 - 8064}
_atom_site.occupancy 100.000 31 11121.24 3968189 2512799354 9GYO {-99 - 102.11}
_atom_site.occupancy_esd 0.006 1 1100.77 3716 14310 2I17 0.00
_atom_site.pdbx_PDB_ins_code 3.056 1 319.64 10178 2207107 9CYL {word} /44 684323 9CYL A 335470 9CTH B 225683 9CLP C 152543 9CK8 D 113036 9CK8 E 95788 9CK8 F
_atom_site.pdbx_PDB_model_num 100.000 31 11121.24 3968189 2512799354 9GYO {1 - 640} /640 2147876625 9GYO 1 21161516 9GWD 2
_atom_site.pdbx_formal_charge 10.014 1 2561.56 673884 53963665 9GSQ 0 2572105 9GWD -1 1403000 9GWD 1 20828 9DT7 2 724 9DRA 3 15 6Q32 6 14 7B2W 4 5 7AEQ -2 3 4YMV 5 1 7AEQ -3 1 7TJM 7 1 4KJI 8
_atom_site.pdbx_tls_group_id 0.305 271 7413.79 123923 5108099 9GSQ {1 - 80} /80 1890429 9GSQ 1 1219079 9GSQ 2 540160 9D77 3 469574 9D77 4 203176 9D77 5
_atom_site.type_symbol 100.000 31 11121.24 3968189 2512799354 9GYO {word} /86 1313171952 9GYO C 493713028 9GYO O 371620435 9GYO N 311616242 9JSX H 11753632 9DTC P
_atom_site_anisotrop.U[1][1] 32.803 1 6171.78 699880 457433887 9DUE {-2.4966 - 837.181}
_atom_site_anisotrop.U[1][1]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.208} /732 1861 2I17 0.0001 1390 2I17 0.0002 736 2I17 0.0003 526 2I17 0.0004
_atom_site_anisotrop.U[1][2] 32.803 1 6171.78 699880 457433887 9DUE {-27.4471 - 18.8533}
_atom_site_anisotrop.U[1][2]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.208} /563 2478 2I17 0.0001 991 2I17 0.0002 669 2I17 0.0003 553 2I17 0.0000
_atom_site_anisotrop.U[1][3] 32.803 1 6171.78 699880 457433887 9DUE {-29.696 - 35.7871}
_atom_site_anisotrop.U[1][3]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.208} /560 2496 2I17 0.0001 877 2I17 0.0002 682 2I17 0.0000 581 2I17 0.0003
_atom_site_anisotrop.U[2][2] 32.803 1 6171.78 699880 457433887 9DUE {-2.3038 - 837.181}
_atom_site_anisotrop.U[2][2]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.487} /752 1909 2I17 0.0001 1419 2I17 0.0002 672 2I17 0.0003 445 2I17 0.0004
_atom_site_anisotrop.U[2][3] 32.803 1 6171.78 699880 457433887 9DUE {-1307 - 20.272}
_atom_site_anisotrop.U[2][3]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.208} /577 2497 2I17 0.0001 920 2I17 0.0002 590 2I17 0.0003
_atom_site_anisotrop.U[3][3] 32.803 1 6171.78 699880 457433887 9DUE {-0.8226 - 837.181}
_atom_site_anisotrop.U[3][3]_esd 0.004 160 1443.78 3723 12994 2I17 {0 - 2.208} /757 2280 2I17 0.0001 1079 2I17 0.0002 568 2I17 0.0003
_atom_site_anisotrop.id 32.803 1 6171.78 699880 457433887 9DUE {1 - 2.15178e+06}
_atom_site_anisotrop.pdbx_PDB_ins_code 0.866 1 227.35 10138 444918 9FZP {word} /41 136734 9FZP A 70786 9B7B B 51986 9B7B C 32025 9B7B D 23737 9FSE E 20469 8W0Y F
_atom_site_anisotrop.pdbx_auth_asym_id 32.803 1 6171.78 699880 451673998 9DUE {word} 5759889 8Y6U {0 - 333} /966 175439677 9DUE A 92995366 9DTC B 39747876 9DT6 C 32610424 9DT6 D 14947213 9DT6 E
_atom_site_anisotrop.pdbx_auth_atom_id 32.803 1 6171.78 699880 457433887 9DUE {word}
_atom_site_anisotrop.pdbx_auth_comp_id 32.803 1 6171.78 699880 457423972 9DUE {word} 9915 9CTX {0 - 9e+09}
_atom_site_anisotrop.pdbx_auth_seq_id 32.803 1 6171.78 699880 457433887 9DUE {-372 - 9999}
_atom_site_anisotrop.pdbx_label_alt_id 20.050 1 184.62 132758 8363734 9DUE {word} 27 7GMF {0 - 5} /31 4034398 9DUE A 3944627 9DUE B 113311 9DT8 C
_atom_site_anisotrop.pdbx_label_asym_id 32.803 1 6171.78 699880 457433887 9DUE {word}
_atom_site_anisotrop.pdbx_label_atom_id 32.803 1 6171.78 699880 457433887 9DUE {word}
_atom_site_anisotrop.pdbx_label_comp_id 32.803 1 6171.78 699880 457423972 9DUE {word} 9915 9CTX {0 - 9e+09}
_atom_site_anisotrop.pdbx_label_seq_id 32.551 1 6075.80 623000 446856568 9DUE {1 - 4128}
_atom_site_anisotrop.type_symbol 32.803 1 6171.78 699880 457433887 9DUE {word} /80 276249354 9DUE C 94098809 9DUE O 75913729 9DUE N 7915575 9G9Q H
_atom_sites.Cartn_transf_matrix[1][1] 0.003 1 1.00 1 7 9BPE 1.000000
_atom_sites.Cartn_transf_matrix[1][2] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[1][3] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[2][1] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[2][2] 0.003 1 1.00 1 7 9BPE 1.000000
_atom_sites.Cartn_transf_matrix[2][3] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[3][1] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[3][2] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_matrix[3][3] 0.003 1 1.00 1 7 9BPE 1.000000
_atom_sites.Cartn_transf_vector[1] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_vector[2] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.Cartn_transf_vector[3] 0.003 1 1.00 1 7 9BPE 0.000000
_atom_sites.entry_id 100.000 1 1.00 1 225207 9GYO {word} 739 8E99 {1 - 8e+99}
_atom_sites.fract_transf_matrix[1][1] 100.000 1 1.00 1 225946 9GYO {-0.012948 - 1}
_atom_sites.fract_transf_matrix[1][2] 100.000 1 1.00 1 225946 9GYO {-0.046264 - 0.049346}
_atom_sites.fract_transf_matrix[1][3] 100.000 1 1.00 1 225946 9GYO {-0.027298 - 0.050418}
_atom_sites.fract_transf_matrix[2][1] 100.000 1 1.00 1 202470 9GYO 0.000000 21772 9DUE -0.000000 1044 5DHZ 0.00000 538 4IJY .000000 61 3IDP 0.0000 31 8PN5 0 14 1P2N 0.0000000 4 8PJ0 -0 3 8PVC 0.0 2 1QP2 0.00 2 3FL5 -0.00000 1 3LDH .007435 1 2DHB .007258 1 6IAR -0.013967 1 1LDM 0.007435 1 1KD2 .00000
_atom_sites.fract_transf_matrix[2][2] 100.000 1 1.00 1 225946 9GYO {0 - 1}
_atom_sites.fract_transf_matrix[2][3] 100.000 1 1.00 1 225946 9GYO {-0.046757 - 0.038003}
_atom_sites.fract_transf_matrix[3][1] 100.000 1 1.00 1 224233 9GYO 0.000000 1045 5DHZ 0.00000 538 4IJY .000000 61 3IDP 0.0000 35 8PN5 0 14 1P2N 0.0000000 4 3TRA 0.000070 4 8PVC 0.0 2 1QP2 0.00 1 1LDM -0.011641 1 3LDH -.011641 1 1QUN -0.00000 1 1KD2 .00000 1 2DHB -.008693 1 2PFK 0.003570 1 6IAR 0.001864 1 2TAA -.006650 1 3PGM -.001360 1 2SOD .001246
_atom_sites.fract_transf_matrix[3][2] 100.000 1 1.00 1 202468 9GYO 0.000000 21775 9DUE -0.000000 1044 5DHZ 0.00000 537 4IJY .000000 61 3IDP 0.0000 31 8PN5 0 14 1P2N 0.0000000 4 8PVC 0.0 4 8PJ0 -0 2 1QP2 0.00 2 8LDH -0.006435 2 3FL5 -0.00000 1 6IAR 0.000206 1 1KD2 .00000
_atom_sites.fract_transf_matrix[3][3] 100.000 1 1.00 1 225946 9GYO {-0.014386 - 1}
_atom_sites.fract_transf_vector[1] 100.000 1 1.00 1 225946 9GYO {-1.9989 - 1.1685} /22 180255 9GYO 0.00000 44895 9CYS 0.000000 504 4IJY .00000
_atom_sites.fract_transf_vector[2] 100.000 1 1.00 1 180339 9GYO 0.00000 44937 9CYS 0.000000 504 4IJY .00000 63 3IDP 0.0000 35 8PN5 0 33 3GOE .000000 14 1P2N 0.0000000 5 1LSP -0.25000 3 1SRD 0.25000 3 8PVC 0.0 2 1QP2 0.00 2 6YG9 -0.000000 1 2CAB -.33832 1 6IAR 0.51831 1 1XDW 2.00981 1 1C7S 0.000 1 2TAA .13700 1 1HIP -.331800
_atom_sites.fract_transf_vector[3] 100.000 1 1.00 1 225946 9GYO {-1.99892 - 0.681} /21 180267 9GYO 0.00000 44896 9CYS 0.000000 504 4IJY .00000
_atom_sites_footnote.id 0.987 1 3.39 395 7547 2G67 {1 - 395} /395 2228 2G67 1 1183 2G67 2 574 1UBS 3 369 1SUT 4
_atom_sites_footnote.text 0.974 1 3.41 395 387 1BPI {text} 7118 2G67 {line} 1 2ACT {word}
_atom_type.oxidation_number 0.001 1 2.00 3 4 4Z5Q +2 1 4N3V +1 1 4Z5Q -1
_atom_type.pdbx_N_electrons 1.557 3 6.01 11 21142 9GYO {1 - 92} /47 3575 9GYO 7 3519 9GYO 8 3518 9GYO 6 3429 9GYO 16 3197 9GYO 1 778 9JHV 15
_atom_type.pdbx_scat_Cromer_Mann_a5 0.038 1 4.67 9 397 9DKZ {0.119 - 38.424} /46 46 9DKZ 0.20390 46 9DKZ 0.17150 46 9DKZ 0.35750 43 9DKZ 0.77150 27 8RR6 1.14276 27 8RR6 0.71379 27 8RR6 0.91299 27 8RR6 1.20937 13 9DKZ 0.11950
_atom_type.pdbx_scat_Cromer_Mann_a6 0.004 1 1.10 2 5 8QFG 0.53631 2 6Y3O 0.49848 2 8R37 0.54916 1 6YRO 0.21240 1 8COH 1.00170
_atom_type.pdbx_scat_Cromer_Mann_b5 0.038 1 4.67 9 397 9DKZ {0.0004 - 194.433} /46 46 9DKZ 48.14310 46 9DKZ 32.47260 46 9DKZ 50.25230 43 9DKZ 50.38880 27 8RR6 0.23954 27 8RR6 0.64692 27 8RR6 0.21729 27 8RR6 0.39024 13 9DKZ 38.62690
_atom_type.pdbx_scat_Cromer_Mann_b6 0.004 1 1.10 2 5 8QFG 0.03827 2 6Y3O 0.17108 2 8R37 0.12846 1 6YRO 0.37708 1 8COH 0.18926
_atom_type.pdbx_scat_Z 1.557 3 6.01 11 21142 9GYO {1 - 92} /45 3654 9GYO 8 3575 9GYO 7 3518 9GYO 6 3429 9GYO 16 3197 9GYO 1 778 9JHV 15
_atom_type.scat_Cromer_Mann_a1 7.679 3 5.59 13 96962 9GYO {-0.374 - 87.4871} /348 12647 9GUF 3.54356 12295 9GUF 9.55732 11802 9GUF 4.01032 10674 9GUF 4.49882 3681 9GUF 0.51345
_atom_type.scat_Cromer_Mann_a2 7.466 1 5.36 13 90379 9GYO {-21.3124 - 23.421} /291 12647 9GUF 2.42580 12295 9GUF 6.39887 11802 9GUF 2.96436 10674 9GUF 3.47563 3681 9GUF 0.48472
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_atom_type.scat_Cromer_Mann_a4 1.760 1 6.01 12 23881 9GYO {-20.325 - 6.779} /183 3280 9JDQ 0.865 3279 9JDQ 0.867 3218 9JDQ 1.167 3195 9JDQ 1.586 2959 9J4L 0.041 719 9JDQ 1.491
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_database_PDB_matrix.origx[3][2] 38.041 1 1.00 1 85953 9FP5 {-0.999827 - 1} /82 85177 9FP5 0.000000 416 3AVQ .000000
_database_PDB_matrix.origx[3][3] 38.041 1 1.00 1 85952 9FP5 {-1 - 1.58311} /215 85422 9FP5 1.000000 218 3EYC 1.00000
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_diffrn.ambient_environment 0.007 1 1.00 1 13 8BS2 gaseous He 2 8BS1 air
_diffrn.ambient_pressure 0.025 1 1.00 1 38 1LLH 101 6 8BS1 101.325 2 7Q7M 100000 1 7Q76 22000 1 7Q7G 30000 1 7Q77 50000 1 7Q7H 51000 1 7Q7N 120000 1 8BRZ 52000 1 5IO7 430000 1 7Q78 72000 1 8BS0 80000 1 8BS2 104000
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_diffrn.crystal_support 0.001 1 1.00 1 2 4Z5Q 0.2-0.3 mm nylon loop 1 4J5O loop mounted and sealed with a MiTeGen MicroRT polyester capillary
_diffrn.crystal_treatment 0.002 1 1.00 1 2 7UX7 flash cooled by immersion in liquid nitrogen 1 7UX8 crystaline L-Tyrosine was added to the drop after the MfnG crystals were formed. ⏎After 46 hours, the MfnG crystals were harvested and flash cooled by immersion ⏎in liquid nitrogen 1 8TW0 Flash-cooled in 100 K Nitrogen stream
_diffrn.details 0.003 1 1.14 2 1 1IJW MULTIPLE WAVELENGTH WITH ANOMALOUS SCATTERING⏎USING THREE IODINE AND ONE BROMINE DERIVATIVES.⏎THE IODINE DERIVATIVES REPLACE THYMINE AT POSITIONS⏎4, 5, AND 7+19 WITH 5-IODO URACIL. THE BROMINE⏎DERIVATIVE REPLACES CYTOSINE AT POSITION 18 WITH 5-BROMO⏎CYTOSINE. 1 5MOP Second data set containing reflections from neutron diffraction. 1 5MOP First data set containing reflections from X-ray diffraction 1 5UN5 the diffraction images at the SBGrid databank, DOI is 10.15785/SBGRID/423 1 5UN6 the diffraction images at the SBGrid databank. DOI is 10.15785/SBGRID/422 1 5V85 THIS IS UNALTERED ORIGINAL DATA FROM ENTRY 3JR7 1 1JJ6 MULTIPLE WAVELENGTH WITH ANOMALOUS SCATTERING⏎USING THREE IODINE AND ONE BROMINE DERIVATIVES. THE IODINE DERIVATIVES⏎REPLACE THYMINE AT POSITIONS 4, 5, AND 7+19 WITH 5-IODO URACIL.⏎THE BROMINE DERIVATIVE REPLACES CYTOSINE AT POSITION 18 WITH 5-BROMO⏎CYTOSINE. 1 8TW0 merged data used for refinement. - Data were integrated, scaled and merged within the CrysAlis Pro software package
_diffrn.id 84.689 1 1.02 21 452 4L8K {word} 195677 9DUE {1 - 21} /40 191336 9DUE 1 3512 9GCV 2
_diffrn.pdbx_serial_crystal_experiment 21.853 1 1.01 21 48797 9DUE N 925 8ZCK Y
_diffrn_detector.details 14.863 1 1.02 21 343 8TXA {text} 14177 9DB5 {line} 19622 9D8A {word} 10 8V98 {0 - 1}
_diffrn_detector.detector 80.662 1 1.02 21 1 1LVY {text} 26089 9JBQ {line} 159313 9DUE {word} /66 93573 9DUE CCD 64252 9DTC PIXEL 23477 9JBQ IMAGE PLATE 2455 9BPE AREA DETECTOR
_diffrn_detector.diffrn_id 81.259 1 1.02 21 2 4DVQ {word} 186883 9DUE {1 - 21} /23 183586 9DUE 1 2828 9GCV 2
_diffrn_detector.id 0.002 1 1.75 4 7 9CBE 1
_diffrn_detector.pdbx_collection_date 77.076 1 1.02 21 176735 9DUE {word} 258 5UPF {1980 - 2016}
_diffrn_detector.pdbx_frequency 0.019 1 1.00 1 12 8VQ1 30 11 7M8W 120 8 7RF8 20 5 7O44 25 4 8PYQ 100 1 6WQA 10 1 7CRL 60
_diffrn_detector.type 80.104 1 1.02 21 2 3Q8I {text} 164942 9DUE {line} 19142 9CBE {word} /987 19090 9GSQ DECTRIS PILATUS 6M 14034 9IY2 ADSC QUANTUM 315r 13042 9D5D ADSC QUANTUM 315 12548 9CBE MARRESEARCH 8960 9JHV DECTRIS EIGER X 16M
_diffrn_measurement.details 0.060 1 1.00 1 135 8JZW {line} /123 3 4E5D 1.00 degrees, 12.0 sec, detector distance 150.00 mm
_diffrn_measurement.diffrn_id 0.069 1 1.00 1 156 8JZW 1
_diffrn_measurement.method 0.035 1 1.00 1 74 8JZW \w scans 4 3RQ8 scans 1 4EFA omega scans 1 4DNI w scans
_diffrn_measurement.specimen_support 0.009 1 1.00 1 19 8BS2 sapphire capillary 2 8BS1 kapton loop
_diffrn_radiation.collimation 0.002 1 1.00 1 1 5E6U ?en 1 6F4R MIRRORS 1 6Z1B Vertical CRL/horizontal elliptical mirror 1 8H5S Mirrors were cylindrical collimating and Toroidal focussing mirror
_diffrn_radiation.diffrn_id 84.462 1 1.02 21 1 3SU8 {word} 193920 9DUE {1 - 21} /22 190787 9DUE 1 2708 9GCV 2
_diffrn_radiation.monochromator 29.227 1 1.02 5 456 8WO8 {text} 42561 9DTC {line} 24241 9DUE {word} 231 9AZ9 {0 - 150}
_diffrn_radiation.pdbx_analyzer 0.000 1 1.00 1 1 8H5S Si(111)
_diffrn_radiation.pdbx_diffrn_protocol 81.486 1 1.02 21 180245 9DUE {line} 6723 9IT1 {word} 5 3MVX {0.9796 - 1.2} /61 180154 9DUE SINGLE WAVELENGTH 5988 9FXJ MAD
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l 81.055 1 1.02 21 185700 9DUE M 345 9IT1 L
_diffrn_radiation.pdbx_scattering_type 83.252 1 1.02 21 190829 9DUE x-ray 281 9BPE neutron 73 8DDG electron
_diffrn_radiation.pdbx_wavelength 0.005 1 1.00 1 2 4P2J 0.9537 1 4P11 0.873 1 4P2C 0.98 1 4P0T 0.9200 1 4P9H 1.033 1 4XUX 0.9765 1 5WPN 0.97946 1 4P5K 0.99 1 7L9L 1.5417 1 4P27 1.518 1 7QAC 1.540598,1.544260
_diffrn_radiation.pdbx_wavelength_list 0.019 1 1.09 5 35 1LLH 1.5418 3 7QAC 1.299995 1 1HO8 0.979 1 261L 0.908 1 4P0T 0.9200 1 4P1V 0.97935 1 6GD9 0.98 1 5GK9 0.9786 1 7ADQ 0.815-0.863 1 4P25 0.97939 1 7QAC 1.299868 1 7QAC 1.299740
_diffrn_radiation.type 0.000 2 2.00 2 1 3BYC x-ray 1 3BYC neutron
_diffrn_radiation.wavelength_id 84.462 1 1.02 21 193921 9DUE {1 - 21} /21 192849 9DUE 1 887 9GCV 2
_diffrn_radiation_wavelength.id 84.474 1 1.07 21 204075 9DUE {1 - 21} /21 190865 9DUE 1 7280 9GCV 2
_diffrn_radiation_wavelength.wavelength 80.883 1 1.07 9 195737 9DUE {0 - 979257}
_diffrn_radiation_wavelength.wt 84.474 1 1.07 21 204074 9DUE 1.0 1 7QAC 0.5
_diffrn_reflns.av_R_equivalents 0.066 1 1.00 1 149 8JZW {0.031 - 0.202} /84 5 6X7L 0.079
_diffrn_reflns.av_sigmaI_over_netI 0.502 1 1.22 9 1383 4OGJ {0 - 271.08}
_diffrn_reflns.diffrn_id 0.836 1 1.16 9 1888 8JZW 1 164 4KK7 2 122 4GMA 3 19 4GMA 4 2 2PBI 6 2 2PBI 5 1 2F5T 9 1 2F5T 8 1 2F5T 7
_diffrn_reflns.limit_h_max 0.004 1 1.00 1 1 4EZ5 37 1 4M98 29 1 4ZSC 25 1 5J5H 44 1 5J5I 35 1 5K6J 28 1 5TFP 30 1 6ZJK 99 1 6XRQ 20
_diffrn_reflns.limit_h_min 0.004 1 1.00 1 4 5TFP 0 1 4ZSC 1 1 5J5I -37 1 5J5H -46 1 6ZJK -103 1 6XRQ -21
_diffrn_reflns.limit_k_max 0.004 1 1.00 1 1 4EZ5 37 1 4M98 51 1 4ZSC 18 1 5J5H 56 1 5J5I 54 1 5K6J 20 1 6ZJK 19 1 5TFP 17 1 6XRQ 28
_diffrn_reflns.limit_k_min 0.004 1 1.00 1 5 5TFP 0 1 4EZ5 -26 1 4M98 1 1 6ZJK -20 1 6XRQ -29
_diffrn_reflns.limit_l_max 0.004 1 1.00 1 1 4M98 51 1 4ZSC 38 1 5J5H 46 1 5K6J 123 1 5TFP 60 1 6ZJK 75 1 4EZ5 22 1 5J5I 52 1 6XRQ 23
_diffrn_reflns.limit_l_min 0.004 1 1.00 1 7 5TFP 0 1 6ZJK -74 1 6XRQ -21
_diffrn_reflns.number 0.829 1 1.17 9 2184 8JZW {2 - 1.16648e+07}
_diffrn_reflns.pdbx_Rmerge_I_obs 0.683 1 1.20 9 1850 5YBD {0.019 - 13.2} /198 38 5E9Z 0.079
_diffrn_reflns.pdbx_Rsym_value 0.123 1 1.14 4 316 5JWY {0.022 - 0.407} /131 10 4KK3 0.067
_diffrn_reflns.pdbx_chi_squared 0.553 1 1.21 6 1514 5YBD {0.38 - 12.18} /364 79 5F20 1.00 52 4XV8 1.01
_diffrn_reflns.pdbx_d_res_high 0.766 1 1.18 9 2041 5YBD {0.85 - 7} /388 120 5EQZ 2.000 94 5HKM 2.100
_diffrn_reflns.pdbx_d_res_low 0.677 1 1.19 6 1825 5YBD {3.38 - 500} /446 877 5YBD 50.000 115 5C5Z 30.000 92 2GCU 50.00 55 4Y7S 40.000
_diffrn_reflns.pdbx_number_obs 0.721 1 1.15 9 1871 5YBD {1 - 531662}
_diffrn_reflns.pdbx_percent_possible_obs 0.756 1 1.18 9 2018 5YBD {1 - 100} /273 225 5JWY 100.00 180 5YBD 99.90 97 5HH7 99.80
_diffrn_reflns.pdbx_redundancy 0.636 1 1.17 6 1676 5YBD {1 - 119.8} /341 43 5CGX 3.70
_diffrn_reflns.pdbx_rejects 0.012 1 1.19 4 32 5EU9 {1 - 1501} /27 3 2AY0 1501 2 2F6H 412 2 5EH0 24 2 5D3F 21 1 4XHC 3
_diffrn_reflns.theta_max 0.001 1 1.00 1 1 6ZJK 13.345875285 1 6XRQ 23.6140252043
_diffrn_reflns.theta_min 0.001 1 1.00 1 1 6ZJK 0.544372704633 1 6XRQ 0.934183571367
_diffrn_source.current 0.000 1 1.00 1 1 8TW0 1
_diffrn_source.details 0.004 1 1.00 1 1 5E3F meridionally-bent fused silica mirror with palladium and uncoated stripes vertically-focusing at 6.6:1 demagnification 1 5V85 THIS IS UNALTERED ORIGINAL DATA FROM ENTRY 3JR7 1 6D28 The data was collected using the APS-1 CCD area detector at APS beamline 19-BM 1 6PNW Syntex P21 diffractometer 1 6L6Y Bruker D8 Venture 1 6YRY Incoatec microfocus source 1 4PNJ The data was assembled from still diffraction patterns collected from 739 crystals at the LCLS beamline XPP, using 50fs pulses 1 8BHZ BRUKER IMUS DIAMOND MICROFOCUS 1 6SDF XtaLAB SuperNova (Rigaku Oxford Diffraction) with microfocused sealed tube 1 8TW0 Rigaku XtalLab Synergy-DW
_diffrn_source.diffrn_id 82.068 1 1.02 21 3 4DVQ {word} 189068 9DUE {1 - 21} /24 185414 9DUE 1 3117 9GCV 2
_diffrn_source.pdbx_synchrotron_beamline 70.046 1 1.02 21 6471 9J9K {line} 150329 9DUE {word} 4441 9GP2 {2.1 - 14.3} /251 5415 9DTC 19-ID
_diffrn_source.pdbx_synchrotron_site 70.147 1 1.02 21 18441 9GUF {line} 143034 9DUE {word} /58 32718 9DUE APS 18066 9GSQ ESRF 15560 9GPJ Diamond 10199 9DHJ SLS 9989 9DP1 ALS 9368 9JDT SSRF 8650 9DB5 SSRL 8560 9DK4 NSLS 7041 9JFN SPring-8
_diffrn_source.pdbx_wavelength 13.795 1 1.01 4 9 7MZY {line} 11 6PTP {word} 31531 8CGE {0 - 6.9}
_diffrn_source.pdbx_wavelength_list 68.014 1 1.02 21 4115 9EY7 {line} 1388 9IT1 {word} 151096 9DUE {0 - 81798}
_diffrn_source.size 0.000 1 1.00 1 1 8TW0 0.11 mm FWHM - micro-focus
_diffrn_source.source 81.447 1 1.02 21 160529 9DUE SYNCHROTRON 24632 9DP4 ROTATING ANODE 1147 9CU9 SEALED TUBE 812 8ZCK FREE ELECTRON LASER 179 8RK1 NUCLEAR REACTOR 130 9FSA LIQUID ANODE 51 8DDG ELECTRON MICROSCOPE 51 9BPE SPALLATION SOURCE 19 1LLH rotating-anode X-ray tube 5 5SCW Rotating Copper Anode 2 6CFH TRANSMISSION ELECTRON MICROSCOPE 1 6HU5 LaB6 THERMOIONIC SOURCE
_diffrn_source.take-off_angle 0.000 1 1.00 1 1 7QAC 40
_diffrn_source.target 0.016 1 1.00 1 37 8TW0 Cu
_diffrn_source.type 81.109 1 1.02 21 181915 9DUE {line} 4844 9CBE {word} /439 5373 9GH3 DIAMOND BEAMLINE I04-1
_diffrn_source.voltage 0.009 1 1.00 1 19 1KNI 40 1 7QAC 45 1 8TW0 50
_em_2d_crystal_entity.angle_gamma 0.007 1 1.07 2 5 6GYS 90.0 5 8SJY 90 2 5IA9 120.0 1 1BRD 120.00 1 1FBK 120 1 1I84 91.5 1 5N97 1
_em_2d_crystal_entity.c_sampling_length 0.003 1 1.17 2 3 8SJY 200 1 1BRD 100.000 1 5Y0B 320 1 6EO1 135 1 5N97 10
_em_2d_crystal_entity.id 0.007 1 1.07 2 15 8SJY 1 1 8SJY 2
_em_2d_crystal_entity.image_processing_id 0.007 1 1.07 2 16 8SJY 1
_em_2d_crystal_entity.length_a 0.007 1 1.07 2 3 5OOF 1.0 3 8SJY 65.5 2 5IA9 81.8 2 6GYS 1 1 1FBK 62.45 1 1I84 133 1 5Y0B 142.6 1 6EO1 135 1 1BRD 62.450 1 5N97 220
_em_2d_crystal_entity.length_b 0.007 1 1.07 2 3 5OOF 1.0 3 8SJY 65.5 2 5IA9 81.8 2 6GYS 1 1 1FBK 62.45 1 1I84 304 1 5Y0B 112.0 1 6EO1 135 1 1BRD 62.450 1 5N97 220
_em_2d_crystal_entity.length_c 0.007 1 1.07 2 4 8SJY 200 3 5OOF 1.0 2 5IA9 100.0 2 6GYS 1 1 1I84 90 1 5N97 220 1 5Y0B 320 1 1BRD 100.000 1 1FBK 100.9
_em_2d_crystal_entity.space_group_name_H-M 0.007 1 1.07 2 5 6GYS P 1 3 8SJY P 4 2 2 2 1FBK P 3 2 5IA9 P 6 1 5N97 P 1 21 1 5Y0B P 2 21 21 1 6EO1 P 4 21 2 1 1I84 P 2
_em_3d_crystal_entity.angle_alpha 0.088 1 1.00 1 198 9DKZ {62.8 - 109.52} /41 129 9DKZ 90 12 8EUN 90.00 12 8TPU 90.0 5 8VD7 90.000
_em_3d_crystal_entity.angle_beta 0.088 1 1.00 1 198 9DKZ {77.16 - 116.15} /73 110 9DKZ 90 11 8TPU 90.0 3 7C4U 90.00
_em_3d_crystal_entity.angle_gamma 0.088 1 1.00 1 198 9DKZ {81.124 - 120} /47 120 9DKZ 90 13 8TPU 90.0 12 8EUN 90.00 5 7VI5 120
_em_3d_crystal_entity.id 0.088 1 1.00 1 198 9DKZ 1
_em_3d_crystal_entity.image_processing_id 0.088 1 1.00 1 198 9DKZ 1
_em_3d_crystal_entity.length_a 0.088 1 1.00 1 198 9DKZ {1 - 600} /154 8 6VHC 4.85
_em_3d_crystal_entity.length_b 0.088 1 1.00 1 198 9DKZ {1 - 600} /164 6 6FKI 1.0
_em_3d_crystal_entity.length_c 0.088 1 1.00 1 198 9DKZ {1 - 600} /178 6 6FKI 1.0
_em_3d_crystal_entity.space_group_name 0.088 1 1.00 1 106 9DKZ {line} 69 8VD7 {word} 23 8FYS {1 - 96} /42 29 8CPC P 43 21 2 29 8EUM P1 20 7SKW P 1 17 9BDJ P 21 21 21 17 8FYS 96 11 7SW5 P43212 10 7N2F P 1 21 1 6 8T1N P212121
_em_3d_crystal_entity.space_group_num 0.088 1 1.00 1 59 8SDK 96 55 8TPU 1 27 9BDJ 19 21 8EUN 4 11 8VD7 5 9 9DKZ 18 2 6YNG 197 2 6ZHJ 178 2 8FYN 20 2 6ZHN 92 1 7N2K 144 1 6CPV 79 1 8E54 2 1 7QGQ 13 1 6ZHB 146 1 7VI5 170 1 6NK4 169 1 6M9J 14
_em_3d_fitting.details 0.804 1 1.05 7 822 9G2W {text} 1004 9DKZ {line} 81 8RVE {word}
_em_3d_fitting.entry_id 9.789 1 1.01 7 22275 9GYO {word} 82 8E99 {8 - 8e+99}
_em_3d_fitting.id 9.789 1 1.01 7 22118 9GYO 1 154 9F2K 2 44 8RZL 3 16 8RBX 4 12 8V6H 5 9 8V6H 6 4 8EKM 7
_em_3d_fitting.method 0.004 1 1.25 3 2 5FKZ CROSS-CORRELATION, ENERGY 1 3JBM Local refinement 1 5FL2 FLEXIBLE 1 6TGA homology model guided chain tracing and parts were de novo built into the real space map 1 6X5Z manual refinement 1 3JD7 Real-space refinement 1 6X5Z real space refinement 1 6X5Z flexible fitting 1 7B5F flexible fit
_em_3d_fitting.overall_b_value 0.777 1 1.00 3 1762 9GCU {0.836 - 1000} /880 49 8RK0 100
_em_3d_fitting.ref_protocol 3.743 1 1.02 7 2846 9CWS RIGID BODY FIT 2687 9DR1 FLEXIBLE FIT 1616 9GG6 AB INITIO MODEL 1268 9DKZ OTHER 194 9G3Z BACKBONE TRACE
_em_3d_fitting.ref_space 3.388 1 1.02 7 7167 9GMO REAL 611 9DKZ RECIPROCAL
_em_3d_fitting.target_criteria 0.916 1 1.02 5 17 3JBD {text} 1732 9DR1 {line} 338 9BP6 {word} 17 8S32 {0.143 - 0.92} /256 559 8X8Q Correlation coefficient 406 9DR1 Cross-correlation coefficient 167 9EME correlation coefficient 65 8B2X Correlation Coefficient
_em_3d_fitting_list.3d_fitting_id 2.564 1 1.72 26 9696 9DR1 1 147 9F2K 2 55 8RBX 3 20 8RBX 4 16 8V6H 5 13 8V6H 6 4 8EKM 7
_em_3d_fitting_list.accession_code 1.693 1 1.67 26 9 8U14 {line} 6351 9DR1 {word} 11 6YAI {6e+26 - 3e+76}
_em_3d_fitting_list.chain_id 0.100 1 2.23 18 501 9DKZ {word} 6 9CL9 {2 - 8} /47 193 9DKZ A 62 9IUZ B 45 9IUZ C 30 9CL9 D 19 9CL9 E
_em_3d_fitting_list.chain_residue_range 0.044 1 1.82 18 180 9DKZ {word} /91 11 8PUH 13-125 6 7UOJ 1-112
_em_3d_fitting_list.details 0.127 1 1.42 9 18 9B0E {text} 290 9FJY {line} 100 9IWQ {word} /227 15 8WOE Model-Angelo
_em_3d_fitting_list.id 2.564 1 1.72 26 9951 9DR1 {1 - 26} /26 5794 9DR1 1 1702 9DKZ 2 828 9CTH 3 496 9CTH 4
_em_3d_fitting_list.initial_refinement_model_id 1.645 1 1.66 26 4441 9DR1 1 1095 9DKZ 2 399 9CTH 3 140 9CTH 4 49 9CTH 5 16 7MQ9 6 10 7MQ9 7 9 7MQ9 8 7 7MQ9 9 2 6R9T 10
_em_3d_fitting_list.pdb_chain_id 0.617 1 2.62 26 3533 9DKZ {word} 121 9CL9 {0 - 9} /88 1342 9DKZ A 515 9IUZ B 289 9IUZ C 197 9CL9 D 170 9CL9 E
_em_3d_fitting_list.pdb_chain_residue_range 0.213 1 2.17 26 1048 9DKZ {word} /466 58 6R10 8-80 34 8GJN 14-1211
_em_3d_fitting_list.pdb_entry_id 2.368 1 1.73 26 9250 9DR1 {word} 17 7WIC {1.2e+09 - 1e+80}
_em_3d_fitting_list.source_name 1.827 1 1.64 26 6210 9DR1 PDB 380 9DKZ AlphaFold 145 9FFH Other 30 8VQD SwissModel 6 8Y9B RoseTTAFold 6 8W2J Modeller 1 8PPQ ITasser
_em_3d_fitting_list.type 1.828 1 1.64 26 6273 9DR1 experimental model 476 9DKZ in silico model 26 9EZ8 other 3 8P4X integrative model
_em_3d_reconstruction.actual_pixel_size 0.309 1 1.00 1 698 6R9T {0.5 - 11.4} /283 23 2Z9Q 2.82
_em_3d_reconstruction.algorithm 1.216 1 1.00 2 1783 9D3G FOURIER SPACE 922 9DR1 BACK PROJECTION 26 8W7S EXACT BACK PROJECTION 25 9CV6 SIMULTANEOUS ITERATIVE (SIRT)
_em_3d_reconstruction.details 0.800 1 1.01 16 631 9BH6 {text} 1176 9CG7 {line} 21 8QSQ {word}
_em_3d_reconstruction.entry_id 10.125 1 1.01 49 23007 9GYO {word} 84 8E99 {8 - 8e+99}
_em_3d_reconstruction.id 10.125 1 1.01 49 23091 9GYO {1 - 49} /49 22876 9GYO 1 47 8ZH6 2
_em_3d_reconstruction.image_processing_id 10.125 1 1.01 49 22929 9GYO 1 100 8ZH6 2 19 8X5F 3 13 8HJV 4 8 8HJV 7 8 8HJV 6 8 8HJV 5 1 7WZW 12 1 7WZW 11 1 7WZW 10 1 7WZW 9 1 7WZW 8 1 7WZW 13
_em_3d_reconstruction.magnification_calibration 0.090 1 1.00 1 14 5AFI {text} 119 5G4G {line} 56 5AA0 {word} 15 4AV2 {33113 - 100000} /90 47 3J1R TMV 10 3J2T TMV images
_em_3d_reconstruction.method 0.324 1 1.00 1 21 5APO {text} 606 6NN3 {line} 106 8CPC {word} /272 57 5FMG PROJECTION MATCHING 40 3JCK projection matching 34 5FNA IHRSR
_em_3d_reconstruction.nominal_pixel_size 0.280 1 1.00 1 632 6MB3 {0.41 - 15.5} /242 25 3JC2 1.34
_em_3d_reconstruction.num_class_averages 1.155 1 1.00 2 2613 9DR1 {1 - 340465} /87 2028 9D3G 1 195 9FCI 2 130 9DR1 3
_em_3d_reconstruction.num_particles 9.946 1 1.01 49 22687 9GYO {1 - 1.93708e+07}
_em_3d_reconstruction.refinement_type 0.020 1 1.00 1 42 5G5P HALF-MAPS REFINED INDEPENDENTLY 2 5FXJ HALF-MAPS REFINED AGAINST SAME DATA 1 7B1D OTHER
_em_3d_reconstruction.resolution 10.071 1 1.01 49 22969 9GYO {0.6 - 70} /910 932 9DKZ 3.2
_em_3d_reconstruction.resolution_method 9.826 1 1.01 49 21557 9GYO FSC 0.143 CUT-OFF 362 9FJK FSC 0.5 CUT-OFF 232 9DKZ DIFFRACTION PATTERN/LAYERLINES 212 9D9X OTHER 17 9EYK FSC 0.33 CUT-OFF 16 8S8G FSC 3 SIGMA CUT-OFF 10 5A5B FSC 9 8YXR FSC 1/2 BIT CUT-OFF 2 3JD7 FSC 0.143
_em_3d_reconstruction.symmetry_type 10.116 1 1.01 49 21464 9GYO POINT 1370 9GG6 HELICAL 194 9DKZ 3D CRYSTAL 44 8SJY 2D CRYSTAL
_em_admin.current_status 2.192 1 1.00 1 4952 9GYO REL 1 6EK5 WDRN
_em_admin.deposition_date 2.192 1 1.00 1 4953 9GYO {word}
_em_admin.deposition_site 2.192 1 1.00 1 2059 9GYO PDBE 1689 9JSX PDBJ 1205 9DR1 RCSB
_em_admin.entry_id 2.192 1 1.00 1 4950 9GYO {word} 3 8E57 {8e+41 - 8e+57}
_em_admin.last_update 2.192 1 1.00 1 748 9GYO 2024-10-09 636 9CKV 2024-07-17 553 9CMH 2024-07-24 522 8ZQE 2024-07-10 474 9FP6 2024-07-03 303 9C5Q 2024-06-26 227 9JA1 2024-09-04 223 9GRE 2024-10-02 208 9CWS 2024-09-18 207 9D9X 2024-09-25 192 9GGQ 2024-09-11 174 9GBV 2024-08-21 141 9CX6 2024-08-14 132 9CEP 2024-08-28 108 9G0B 2024-07-31 105 9IWQ 2024-08-07
_em_admin.map_release_date 2.192 1 1.00 1 4952 9GYO {word} /308 180 9GGQ 2024-09-11
_em_admin.title 2.192 1 1.00 1 280 9CGZ {text} 4659 9GYO {line} 14 8VSD {word}
_em_buffer.details 1.584 1 1.00 2 364 9GBK {text} 3035 9DR1 {line} 180 9CVF {word}
_em_buffer.id 10.058 1 1.00 4 22726 9GYO 1 22 8TRC 2 7 8TRC 3 4 8TRC 4
_em_buffer.name 0.314 1 1.00 1 14 3JCN {text} 625 5LDX {line} 70 3JCX {word} /457 21 3JCX PBS
_em_buffer.pH 10.052 1 1.00 4 22744 9GYO {2 - 11.2} /102 7422 9GYO 7.5 4743 9GRE 7.4 3425 9JA0 8.0 1618 9GBV 8 775 9CAQ 7.6
_em_buffer.specimen_id 10.058 1 1.00 4 22730 9GYO 1 26 8TRC 2 3 8PQ5 3
_em_buffer_component.buffer_id 2.467 1 3.50 15 19474 9JSX 1 39 8C8G 2 2 7B9K 3
_em_buffer_component.concentration 2.402 1 3.56 15 19304 9JSX {2e-06 - 1500} /285 2515 9CZP 20 1878 9DR1 1 1782 9JSX 150 1520 9GRE 50 1317 9D9X 10 1070 9DR1 100 1036 9DR1 5 1036 9GAW 2 755 9IWQ 25
_em_buffer_component.concentration_units 2.404 1 3.55 15 441 9CTT {line} 18853 9JSX {word} 9 8RBT {0.1 - 40} /88 15715 9JSX mM 1567 9G5K % 420 9G0B M
_em_buffer_component.formula 2.127 1 2.96 15 14243 9JSX {word} 1 7QW9 {100 - 100} /600 3405 9D9X NaCl 998 9DR1 MgCl2 822 9DR1 KCl 678 9CV9 C8H18N2O4S
_em_buffer_component.id 2.467 1 3.50 15 5570 9JSX 1 5085 9DR1 2 3972 9DR1 3 2437 9D9X 4 1272 9G5K 5 620 9G40 6 298 9G40 7 175 9CHS 8 49 9B1E 9 20 9B1E 10 5 9B1E 11 3 8C8R 14 3 8C8R 15 3 8C8R 13 3 8C8R 12
_em_buffer_component.name 2.356 1 3.43 15 83 8V6V {text} 9227 9JSX {line} 8959 9DR1 {word} 1 7QW9 {298 - 298}
_em_crystal_formation.atmosphere 0.007 1 1.00 1 5 6OIZ air 4 5K2H in air, in sealed chamber, in equilibrium with reservoir solution 2 6CFH air, sealed chamber 1 5KO0 Air, sealed chamber 1 5OCV AIR 1 5KNZ Air, sealed chamber. 1 6BZP air, sealed chaomder, in equilibrium with reservoir solutionq 1 6EO1 dialysis buffer
_em_crystal_formation.details 0.010 1 1.00 1 11 8CPC {text} 9 6OIZ {line} 3 6MXF {word} /22 2 5K2F Crystals were grown by hanging-drop vapor diffusion at ~20 degrees C. The reservoir solution contained 100 mM HEPES, pH 7.0, and 1 M sodium acetate (pH not adjusted). Drops were prepared by pipetting 5 microliters of 30 mg/mL aqueous peptide solution, 4 microliters of reservoir solution, and 1 microliter of 0.1 M zinc sulfate onto a glass coverslip. Crystals grew within a day. 1 6U5G 600 uL of protein at 60 mg/mL was combined with 400 uL of 50 percent PEG 3350 in a glass vial and stirred with an Octagon stir bar at 500 RPM
_em_crystal_formation.id 0.082 1 1.00 1 186 9CIP 1
_em_crystal_formation.instrument 0.007 1 1.00 1 5 6BZP 24-well plate 4 6O4J microcentrifuge tube 2 6NK4 hanging drop vapor diffusion 1 5KNZ 1.5 mL Eppendorf tube 1 5KO0 Hanging Drop Vapor Diffusion Tray 1 6EO1 dialysis buttons 1 6OIZ Varioscan plate reader
_em_crystal_formation.lipid_mixture 0.007 1 1.00 1 9 6NK4 none 2 5IA9 bovine liver lecithin 1 6EO1 E.coli polar lipids 1 8FYO None 1 8SJX Sphingomyelin and cholesterol were mixed at a 2:1 molar ratio. 1 6U5G NA 1 8SJY Sphingomyelin and cholesterol were mixed at a 1:2 molar ratio.
_em_crystal_formation.lipid_protein_ratio 0.003 1 1.00 1 2 5IA9 3 2 8SJY 0.2 1 6EO1 0.8 1 6J60 1
_em_crystal_formation.specimen_id 0.082 1 1.00 1 186 9CIP 1
_em_crystal_formation.temperature 0.012 1 1.00 1 9 6M9J 298 7 8SJY 310 3 9CIP 293 2 6NK4 291 1 5IA9 303 1 5KO0 277 1 5OCV 294 1 6J60 289 1 6U5G 296
_em_crystal_formation.time 0.008 1 1.00 1 6 9CIP 1 5 8SJY 7 3 5OCV 2 3 6O4J 4 1 6OIZ 30 1 6EO1 5
_em_crystal_formation.time_unit 0.008 1 1.00 1 17 9CIP DAY 1 6OIZ HOUR
_em_ctf_correction.details 0.675 1 1.00 1 79 9B95 {text} 1278 9CL9 {line} 168 8YOP {word} /548 74 3JD7 Each particle
_em_ctf_correction.em_image_processing_id 9.646 1 1.00 13 21798 9GYO 1 54 8ZH6 2 9 8ZFM 3 5 8FOK 4 2 8HJV 7 2 8HJV 6 2 8HJV 5 1 7WZW 12 1 7WZW 11 1 7WZW 10 1 7WZW 9 1 7WZW 8 1 7WZW 13
_em_ctf_correction.id 10.000 1 1.00 13 22595 9GYO 1 51 8ZH6 2 12 8ZH6 3 8 8ZH6 4 2 8HJV 7 2 8HJV 6 2 8HJV 5 1 7WZW 12 1 7WZW 11 1 7WZW 10 1 7WZW 9 1 7WZW 8 1 7WZW 13
_em_ctf_correction.type 9.649 1 1.00 13 16944 9JSX PHASE FLIPPING AND AMPLITUDE CORRECTION 3655 9GYO NONE 1285 9CLP PHASE FLIPPING ONLY
_em_diffraction.camera_length 0.088 1 1.00 1 198 9CIP {0.1 - 4705} /63 24 7C4U 730 18 7X2V 800 10 7RVL 1 9 6PKT 2055.0
_em_diffraction.id 0.088 1 1.00 1 198 9CIP 1
_em_diffraction.imaging_id 0.088 1 1.00 1 198 9CIP 1
_em_diffraction.tilt_angle_list 0.009 1 1.00 1 12 8SDK -30,30 2 6S2O 0 1 7KUH -60,68 1 7RM5 -40, +40, 0.6 1 7VI5 -68 to +68, 1 deg./frame 1 6EO1 0, 55 1 8VD7 -40,70 1 9CIP -20,70
_em_diffraction_shell.em_diffraction_stats_id 0.084 1 1.59 10 301 9DKZ 1
_em_diffraction_shell.fourier_space_coverage 0.084 1 1.59 10 301 9DKZ {0.1 - 100} /202 15 8T60 93.2
_em_diffraction_shell.high_resolution 0.084 1 1.59 10 301 9DKZ {0.6 - 55.79} /205 17 7XKJ 3.0 9 8FYS 0.87
_em_diffraction_shell.id 0.084 1 1.59 10 189 9DKZ 1 22 9BDJ 2 18 9BDJ 3 16 9BDJ 4 15 9BDJ 5 9 9BDJ 6 8 7N2L 10 8 7N2L 9 8 7N2L 8 8 7N2L 7
_em_diffraction_shell.low_resolution 0.084 1 1.59 10 301 9DKZ {0.1 - 200} /232 14 8T60 5.5
_em_diffraction_shell.multiplicity 0.084 1 1.59 10 301 9DKZ {0.1 - 300} /181 15 8T60 2.5
_em_diffraction_shell.num_structure_factors 0.084 1 1.59 10 301 9DKZ {1 - 6.90136e+06} /237 14 8T60 244
_em_diffraction_shell.phase_residual 0.084 1 1.59 10 301 9DKZ {1e-10 - 179.9} /114 52 7N2L 0.01 38 7N2G .01 28 8T1N 0.1 25 7BEQ 1 16 8T60 13.5 13 8FYS 30
_em_diffraction_stats.details 0.014 1 1.00 1 19 7N2K {text} 12 8SJY {line} /25 3 5K2H Phase statistics are not applicable. No imaging was used. The phases were obtained by a crystallographic direct methods program, SHELXD. 2 7N2F Phase error and phase residual statistics are not routinely reported for crystallographic structures. No imaging was used. The phases were⏎obtained by an ab initio crystallographic method described in our⏎manuscript 2 7N2K Phase ⏎error and phase residual statistics are not routinely reported for ⏎crystallographic structures. No imaging was used. The phases were ⏎obtained by an ab initio crystallographic method described in our ⏎manuscript 2 5KO0 Phasing statistics are not applicable. No imaging was used. The phases were obtained using molecular replacement. 2 8SJY There was no phase error rejection criteria used for diffraction intensities. 1 6VHC Model from the low-dose set refined against the damage dataset without any changes.
_em_diffraction_stats.fourier_space_coverage 0.086 1 1.00 1 194 9DKZ {0.1 - 100} /138 12 7X2V 90.3 9 8FYS 87.58
_em_diffraction_stats.high_resolution 0.086 1 1.00 1 194 9DKZ {0.6 - 18.25} /93 13 7X2V 2.83 9 8FYS 0.87
_em_diffraction_stats.id 0.086 1 1.00 1 194 9DKZ 1
_em_diffraction_stats.image_processing_id 0.086 1 1.00 1 194 9DKZ 1
_em_diffraction_stats.num_intensities_measured 0.086 1 1.00 1 194 9DKZ {943 - 9.65057e+06} /168 13 7X2V 1590 9 8FYS 569407
_em_diffraction_stats.num_structure_factors 0.086 1 1.00 1 194 9DKZ {325 - 6.90136e+06} /167 14 8T60 325 9 8FYS 64974
_em_diffraction_stats.overall_phase_error 0.070 1 1.00 1 159 9DKZ {0 - 179.9} /108 17 6ZHB 0 10 8FYS 30 5 5V5C 0.1
_em_diffraction_stats.overall_phase_residual 0.057 1 1.00 1 129 7QGQ {1e-10 - 179.9} /74 24 7BEQ 1 13 6ZEV 0.1 12 7N2K 0.01 5 6ZHN 0.001
_em_diffraction_stats.phase_error_rejection_criteria 0.086 1 1.00 1 7 8T1N {line} 53 9BDJ {word} 134 9DKZ {0 - 9999} /22 91 9DKZ 0 33 8FYS None 15 8SKW 20 12 8VD7 none 8 8IJZ 60
_em_diffraction_stats.r_merge 0.086 1 1.00 1 194 9DKZ {0.093 - 99} /148 14 7X2V 0.198 10 8FYS 0.236 4 5K2H 15.1
_em_diffraction_stats.r_sym 0.069 1 1.00 1 156 8SJY {0.073 - 100} /127 9 8FYS 0.073 4 7SWB 13
_em_embedding.details 0.008 1 1.00 1 2 8SJY Aquaporin-0 2D crystals were prepared on molybdenum grids using the carbon sandwich method and a trehalose concentration ranging from 3% to 5% (w/v). 2 8IU0 nanodisc composed of MSP1D1E3 and soybean lipids 2 3IZ2 10% trehalose 1 2AT9 3% (w/v) trehalose 1 1AT9 3% trehalose 1 8BJA Sample vitrified using a final concentration of 4mM CHAPSO or 0.005% fluorinated octyl beta-maltoside 1 1FQY 3% 1 8H87 nanodisc composing of MSP1D1E3 and soybean lipid 1 7M6L Embedded in liposomes 1 1SOR 10% glucose 1 8CPC 40% Dextran in phosphate buffer 1 8A8E The sample was plunged freeze in ethane-propane and transfer to liquid nitrogen. 1 6YNG Undiluted sample was applied to glow-discharged 200 mesh copper Quantifoil. 1 3DWW 3 % trehalose 1 1BRD 0.8% (w/v) glucose 1 2D57 7% trehalose
_em_embedding.id 0.079 1 1.00 1 179 8ZRK 1
_em_embedding.material 0.079 1 1.00 1 62 8ZRK {line} 117 8QU5 {word} /33 30 8ZRK vitreous ice 26 8T1L ice 26 8CXO nanodisc 13 8QU5 Ice 10 7VMS buffer 9 5IA9 trehalose 9 7Y42 vitrified ice 8 8EWC carbon
_em_embedding.specimen_id 0.079 1 1.00 1 179 8ZRK 1
_em_entity_assembly.details 1.577 1 1.16 19 679 9DKZ {text} 3307 9GG6 {line} 152 8V49 {word} 2 7BGB {4 - 180}
_em_entity_assembly.entity_id_list 9.649 1 1.41 63 1330 9CG7 {text} 10301 9GYO {line} 6980 9DR1 {word} 12208 9JSX {1 - 92}
_em_entity_assembly.id 10.129 1 1.42 63 32542 9GYO {1 - 63} /63 22885 9GYO 1 3894 9JA1 2 3651 9JA1 3 1135 9FMD 4
_em_entity_assembly.name 10.129 1 1.42 63 635 9CGZ {text} 27484 9GYO {line} 4417 9GBV {word} 6 7YP1 {1 - 100000}
_em_entity_assembly.oligomeric_details 0.000 1 1.00 1 1 5G5P One heterotrimer
_em_entity_assembly.parent_id 10.129 1 1.42 63 22889 9GYO 0 9380 9JA1 1 104 9B9Q 2 87 8XBF 3 31 6C4I 12 20 6C4I 11 15 9F1D 4 15 8OTS 5 1 7VVM 6
_em_entity_assembly.source 9.655 1 1.42 63 19125 9GYO RECOMBINANT 6518 9JSV NATURAL 4966 9JA1 MULTIPLE SOURCES 362 9JA1 SYNTHETIC
_em_entity_assembly.synonym 0.016 1 1.33 3 12 3JCN {line} 36 3JD8 {word} /29 7 3IY7 FPV 3 3JAI eRF1(AAQ) 3 3JAI ABCE1, Rli1 3 3JCH CorA 2 3JAN SRP
_em_entity_assembly.type 10.127 1 1.40 63 27195 9GYO COMPLEX 1800 9GMO RIBOSOME 1532 9D9X VIRUS 1219 9GK2 ORGANELLE OR CELLULAR COMPONENT 228 9JSX CELL 143 9GG6 TISSUE 4 3JCC PROTEIN
_em_entity_assembly_molwt.entity_assembly_id 5.766 1 1.13 59 14668 9DR1 {1 - 59} /59 14129 9DR1 1 161 9FJY 3
_em_entity_assembly_molwt.experimental_flag 5.718 1 1.10 8 11978 9GRE NO 2237 9DR1 YES
_em_entity_assembly_molwt.id 5.766 1 1.13 59 13203 9DR1 1 659 9D9X 2 490 9IUZ 3 183 9FJY 4 70 8XJV 5 44 8XJV 6 15 8XJV 7 3 6H04 8 1 5U4J 9
_em_entity_assembly_molwt.units 3.578 1 1.10 8 7926 9DR1 MEGADALTONS 998 9D3G KILODALTONS/NANOMETER
_em_entity_assembly_molwt.value 3.389 1 1.11 8 8470 9DR1 {0.000747 - 673772}
_em_entity_assembly_naturalsource.cell 0.008 1 1.00 1 7 8S9S HEK293 3 8FKT HEK293F 2 6XRE HeLa 2 8EFE C2C12 1 5LZS Rabbit reticulocyte lysate 1 6I2I Hela 1 7BYR HEK293T
_em_entity_assembly_naturalsource.cellular_location 0.135 1 1.18 10 188 9B8O {line} 172 9DKZ {word} /72 58 9DKZ cytoplasm 26 8CRT Plasma membrane 21 8OPO membrane 18 8GBR extracellular 16 7W5Z Mitochondrial inner membrane
_em_entity_assembly_naturalsource.details 0.001 1 1.00 1 1 8POK Cell-free synthesis 1 8QRH Folmaldehyde inactivated
_em_entity_assembly_naturalsource.entity_assembly_id 9.464 1 1.30 62 27798 9GYO {1 - 63} /63 19559 9GYO 1 3584 9GCU 2 2959 9GCT 3 922 9FMD 4
_em_entity_assembly_naturalsource.id 9.464 1 1.30 62 27798 9GYO {1 - 63} /63 17699 9GYO 2 5495 9J2N 1 2742 9GCT 3 961 9GCT 4
_em_entity_assembly_naturalsource.ncbi_tax_id 9.464 1 1.30 62 27798 9GYO {34 - 6.79896e+06}
_em_entity_assembly_naturalsource.organ 0.125 1 1.03 6 29 8RU0 {line} 261 9GG6 {word} /43 56 8Q4G Heart 48 9GG6 Brain 26 8RGT brain 24 8SHT Kidney 19 8CRT Blood 15 8DD0 heart 15 8SJY Eye 8 8RGR liver
_em_entity_assembly_naturalsource.organelle 0.081 1 1.15 6 43 9DKZ {line} 169 9JSV {word} /35 52 8OIT Mitochondria 27 8OIT Mitochondrion 25 8RGT mitochondria 15 8EAR endoplasmic reticulum 13 8CMO Chloroplast 10 7P2Q Endoplasmic Reticulum
_em_entity_assembly_naturalsource.organism 9.464 1 1.30 62 13 8OO6 {text} 27519 9GYO {line} 266 9CWS {word}
_em_entity_assembly_naturalsource.strain 0.587 1 1.08 11 1 8OPO {text} 376 9D9X {line} 1017 9GBV {word} 39 8CZC {2 - 81116} /435 77 8QK7 MRE600 69 8TRG K12
_em_entity_assembly_naturalsource.tissue 0.111 1 1.04 5 79 9GG6 {line} 181 9DKZ {word} /79 19 8CRT Erythrocytes 19 8SHT Kidney 17 8GBR Cardiac 16 9FOR Brain 15 6VOO Leaves 12 8CZ6 cerebrospinal fluid
_em_entity_assembly_recombinant.cell 0.710 1 1.21 6 454 9C2C {line} 1489 9CTT {word} 2 6C5V {293 - 293} /203 477 9CTT HEK293 177 8ZLE HEK293F 149 8WB0 HEK293T 72 8V2Z Expi293
_em_entity_assembly_recombinant.entity_assembly_id 7.171 1 1.26 9 13983 9GYO 1 2774 9JA1 2 2408 9GCT 3 738 9FMD 4 260 9F1B 5 125 9F1D 6 31 9F1D 7 17 9F1D 8 9 8WAS 11 4 8BVW 10 4 8BVW 9 1 7NKY 15 1 7NKY 24 1 7NKY 22 1 7NKY 16 1 7NKY 19 1 7NKY 20 1 7NKY 21 1 7NKY 23
_em_entity_assembly_recombinant.id 7.171 1 1.26 9 12994 9GYO 2 4367 9JSX 1 1895 9GCT 3 634 9GCT 4 248 8ZHP 5 127 9F1D 6 51 9F1D 7 28 9F1D 8 13 8WAS 9 3 8BYQ 10 1 7M1X 11
_em_entity_assembly_recombinant.ncbi_tax_id 7.171 1 1.26 9 20361 9GYO {2 - 7.10671e+07} /219 6553 9IWS 9606 5203 9DR1 562 2436 9GYO 7108 1479 9JSX 469008 995 9J2N 7111
_em_entity_assembly_recombinant.organism 7.171 1 1.26 9 357 9CC3 {text} 19877 9GYO {line} 127 9IQT {word} /265 6525 9IWS Homo sapiens 5304 9DR1 Escherichia coli 2432 9GYO Spodoptera frugiperda 1406 9JSX Escherichia coli BL21(DE3) 1000 9J2N Trichoplusia ni
_em_entity_assembly_recombinant.plasmid 0.532 1 1.13 9 202 8Z3S {line} 1150 9IKC {word} 1 5H1C {1 - 1} /402 60 9B39 pEG BacMam
_em_entity_assembly_recombinant.strain 0.583 1 1.08 4 9 7LF2 {text} 375 8ZH6 {line} 1036 9CV9 {word} 1 7NSG {9 - 9} /240 205 9IKC BL21(DE3) 106 9FO3 BL21 53 9CV9 Sf9
_em_entity_assembly_synthetic.entity_assembly_id 0.130 1 1.06 3 110 9JA1 3 66 9ATW 1 40 8WB0 4 39 8WD8 2 26 8WB0 5 15 8WAS 7 10 7WUI 6 7 8WAS 9
_em_entity_assembly_synthetic.id 0.130 1 1.06 3 232 9JA1 1 26 8J9X 3 16 8UYS 2 15 8JL0 4 15 8WAS 7 5 8WAS 8 2 8WAO 9 2 7XT7 5
_em_entity_assembly_synthetic.ncbi_tax_id 0.130 1 1.06 3 313 9JA1 {274 - 2.69705e+06} /35 174 8XC1 32630 63 8J9X 9606 11 9JA1 562
_em_entity_assembly_synthetic.organism 0.130 1 1.06 3 308 9JA1 {line} 5 8WR4 {word} /35 174 8XC1 synthetic construct 63 8J9X Homo sapiens 11 9JA1 Escherichia coli
_em_entity_assembly_synthetic.strain 0.001 1 1.00 1 2 7Y7G MRE600 1 8JH2 4
_em_experiment.aggregation_state 10.129 1 1.00 1 20418 9GYO PARTICLE 1394 9JSX FILAMENT 366 9FVD HELICAL ARRAY 299 9GRD 3D ARRAY 201 9DKZ CELL 154 9GK2 2D ARRAY 54 8Q4G TISSUE
_em_experiment.entity_assembly_id 10.129 1 1.00 1 22842 9GYO 1 42 8R8K 2 1 7LUV 4 1 8GNK 3
_em_experiment.entry_id 10.129 1 1.00 1 22802 9GYO {word} 84 8E99 {8 - 8e+99}
_em_experiment.id 10.129 1 1.00 1 22886 9GYO 1
_em_experiment.reconstruction_method 10.129 1 1.00 1 20986 9GYO SINGLE PARTICLE 1336 9GG6 HELICAL 263 9EVD SUBTOMOGRAM AVERAGING 243 9DKZ CRYSTALLOGRAPHY 58 8GBS TOMOGRAPHY
_em_helical_entity.angular_rotation_per_subunit 0.563 1 1.11 128 1412 9GG6 {-179.9 - 180} /865 154 8UTY 168.09 21 7PML -167.3
_em_helical_entity.axial_rise_per_subunit 0.563 1 1.11 128 1412 9GG6 {0.01 - 430} /679 131 8UTQ 5.6 36 9ERO 4.8
_em_helical_entity.axial_symmetry 0.563 1 1.11 128 1185 9GG6 C1 90 9BJO C2 36 8VJA C6 32 9INY C3 20 8S5J D1 11 8CH5 C5 10 8QI5 C4 10 8S5M D2 5 8PDZ C7 3 7RS6 C14 3 8OPD C8 2 7YX5 D5 2 8QBB D3 1 7TNS C13 1 8ZRA C9 1 8TAF D14
_em_helical_entity.details 0.003 1 1.00 1 2 3J8Y The reconstructed 14-protofilament microtubule is pseudo-symmetric, containing a seam with 3 starts per tubulin monomer, or 1.5 starts per tubulin dimer. 1 3J8A none 1 3J9O One asymmetric unit contains a heterodimer of IglA/IglB 1 3JAX Heavy meromyosin (HMM) is the outermost helical unit of the myosin thick filament formed by two myosin heads that include the motor domains, the proteolytic fragment of myosin heavy chain subfragment 2 (S2), and two associated light chains (ELC and RLC). 1 5KG8 Not directly applicable to the modeled coordinates
_em_helical_entity.id 0.563 1 1.11 128 1412 9GG6 {1 - 128} /128 1271 9GG6 1 12 8UXU 2
_em_helical_entity.image_processing_id 0.563 1 1.11 128 1348 9GG6 1 64 8UTP 2
_em_image_processing.details 0.288 1 1.00 2 108 8RS0 {text} 528 9IWQ {line} 17 8AEY {word} /312 25 8S8J FEI Falcon III
_em_image_processing.id 10.125 1 1.00 13 22877 9GYO 1 51 8ZH6 2 9 8ZFM 3 5 8FOK 4 2 8HJV 7 2 8HJV 6 2 8HJV 5 1 7WZW 12 1 7WZW 11 1 7WZW 10 1 7WZW 9 1 7WZW 8 1 7WZW 13
_em_image_processing.image_recording_id 10.125 1 1.00 13 22915 9GYO 1 32 8ZFM 2 4 8FOK 3 1 8HJV 6 1 8HJV 4 1 8HJV 5
_em_image_recording.average_exposure_time 2.243 1 1.01 8 5138 9JSX {0.006 - 150} /497 375 9BF6 10 348 9BPA 8 306 9GBK 2 298 9DKZ 1 188 9F48 3
_em_image_recording.avg_electron_dose_per_image 10.048 1 1.01 8 22975 9GYO {0.00025 - 1200}
_em_image_recording.avg_electron_dose_per_subtomogram 0.046 1 1.14 2 117 9EVD {49.6 - 160} /34 22 8PUH 143.5 18 9EVD 120 13 8QV3 123 7 7TBL 110 6 8Q6T 140 5 8C8R 121
_em_image_recording.details 0.464 1 1.04 8 251 9DKZ {text} 824 9CKV {line} 12 8A6J {word} 4 7BTI {20 - 30} /554 35 8GH1 The map is the result of combining multiple datasets: cryo-EM imaging of the beta-2AR-Gs + GTP (5 sec) complex was performed on a Titan Krios electron microscope equipped with a K3 Summit direct electron detector (Gatan). The microscope was operated at 300 kV accelerating voltage, with a nominal magnification of 105,000x in counting mode resulting in a magnified pixel size of 0.8677 Angstrom. A total exposure of 60.48 electrons/ Angstrom^2 over 63 frames with defocus ranging from -1.0 - -2.0 micrometers was used. Cryo-EM imaging of beta-2AR-Gs + GTP (10 sec) complex was performed on four separate grids over three collection sessions. The microscope was operated at 300 kV accelerating voltage, with a magnification at the camera of 58,679x in counting mode resulting in a magnified pixel size of 0.8521 Angstrom. For the first and second grids, movies were obtained at an exposure rate of 21.13 electrons/Angstrum^2/sec with defocus ranging from -0.4 - -2.0 micrometers. The total exposure time was 2.717 sec over 77 frames per movie stack. For an additional collection of the first grid, movies were obtained at an exposure rate of 20.95 electrons/ Angstrum^2/sec with defocus ranging from -0.4 -2.0 micrometers. The total exposure time was 2.717 sec over 77 frames per movie stack. For the third and fourth grids, movies were obtained at an exposure rate of 30.71 electrons/ Angstrum^2/sec with defocus ranging from -0.5 - -1.6 micrometers. The total exposure time was 2.008 sec over 79 frames per movie stack. Cryo-EM imaging of beta-2AR-Gs + GTP (17 sec) was performed on a Titan Krios equipped with a post-column energy filter, with a magnification of 105,000x in counting mode resulting in a magnified pixel size of 0.8677 Angstrom. Movies were obtained at an exposure rate of 32.46 electrons/Angstrum^2/sec with defocus ranging from -0.4 - -0.9 micrometers. The total exposure time was 1.999 sec over 79 frames per movie stack.
_em_image_recording.detector_mode 2.804 1 1.01 4 3674 9D9X COUNTING 1959 9C9M SUPER-RESOLUTION 753 9G0B INTEGRATING 17 7XKJ OTHER
_em_image_recording.film_or_detector_model 10.114 1 1.01 8 23044 9GYO {line} 85 9F1C {word} /45 6279 9DR1 GATAN K2 SUMMIT (4k x 4k) 6230 9JSX GATAN K3 (6k x 4k) 4167 9GRE GATAN K3 BIOQUANTUM (6k x 4k) 1598 9D9X FEI FALCON III (4k x 4k) 1427 9GYO FEI FALCON IV (4k x 4k) 1061 9CVG GATAN K2 QUANTUM (4k x 4k)
_em_image_recording.id 10.129 1 1.01 8 22886 9GYO 1 222 8ZFM 2 36 8PQ5 3 11 8HJV 4 4 8HJV 5 2 8HJV 6 1 6ZET 8 1 6ZET 7
_em_image_recording.imaging_id 10.129 1 1.01 8 23101 9GYO 1 54 8QP0 2 8 8PQ5 3
_em_image_recording.num_diffraction_images 0.052 1 1.09 8 129 9DKZ {22 - 32000} /65 18 6UOW 100 15 7SWC 120 10 8FYS 840 6 6CLS 920
_em_image_recording.num_grids_imaged 2.115 1 1.01 8 4848 9DKZ {1 - 12719} /31 3759 9GMO 1 561 9CZP 2 189 9DKZ 3
_em_image_recording.num_real_images 2.506 1 1.01 4 5731 9GMO {1 - 9.081e+06}
_em_image_scans.details 0.003 1 1.00 1 5 3IY7 scanned at 7 microns and bin averaged to 14 1 3IYW scanned images binned 2x2
_em_image_scans.dimension_height 0.990 1 1.01 2 2252 9CZP {1 - 9042} /48 592 9GAW 4096 541 9CZP 4092 437 8VUW 3710 209 9B9Q 3838 81 8T1N 2048
_em_image_scans.dimension_width 0.990 1 1.01 2 2252 9CZP {1 - 11520} /49 586 9GAW 4096 545 9CZP 5760 417 8VUW 3838 193 9B9Q 3710 81 8T1N 2048
_em_image_scans.entry_id 2.057 1 1.00 2 4646 9CZP {word} 21 8E54 {80 - 7e+55}
_em_image_scans.frames_per_image 1.193 1 1.00 1 2695 9CWS {1 - 200} /72 823 9BP6 40 345 9CWS 50 181 9B9Q 30 167 8R6F 32 151 9B9I 20 129 8QRW 60
_em_image_scans.id 2.057 1 1.00 2 4627 9CZP 1 38 8QOI 2 1 6ZET 8 1 6MWQ 3
_em_image_scans.image_recording_id 2.057 1 1.00 2 4626 9CZP 1 39 8QOI 2 1 6ZET 8 1 6MWQ 3
_em_image_scans.number_digital_images 0.229 1 1.00 1 518 7OJF {1 - 38858} /315 19 5G2Y 2000
_em_image_scans.od_range 0.004 1 1.00 1 7 3IY7 0.9 1 3IYW 1. 1 3J0K 1.0
_em_image_scans.quant_bit_size 0.001 1 1.00 1 1 3H3Y 8 1 3J0K 16
_em_image_scans.sampling_size 0.377 1 1.00 1 851 9CZP {0.000131 - 75} /48 276 9CZP 5.0 204 9BOQ 5 180 9CIP 14 45 8FYS 28 25 6VHC 31.2
_em_image_scans.scanner_model 0.015 1 1.00 1 13 5MVY ZEISS SCAI 10 8AFA OTHER 3 487D IMAGE SCIENCE PATCHWORK DENSITOMETER 3 1JQS PERKIN ELMER 3 3LUE NIKON COOLSCAN 2 6NHJ NIKON SUPER COOLSCAN 9000
_em_image_scans.used_frames_per_image 0.650 1 1.00 1 1468 9CWS {word} /150 282 9BP6 1-40 165 9CWS 1-50 93 8I7N 1-30 74 8QRW 1-60 69 8WHB 1-32
_em_imaging.accelerating_voltage 10.122 1 1.00 4 20313 9GYO 300 2453 9CTH 200 89 8T2I 120 45 8PVJ 100 16 4V7A 160 10 3JAX 80 8 3DCO 400 2 4V3P 150 2 8Y4C 60 1 8YXM 30 1 8UEX 300300 1 5MGP 302 1 3J8C 110 1 3IY0 45
_em_imaging.alignment_procedure 1.967 1 1.00 3 3407 9JSX COMA FREE 610 9GCU ZEMLIN TABLEAU 431 9DR1 BASIC 11 8I7J OTHER 5 8WI9 NONE
_em_imaging.astigmatism 0.043 1 1.00 1 91 3JCK {line} 7 3J9O {word} /48 9 3JBQ Objective lens astigmatism was corrected at 100,000 times magnification. 7 3J0G objective lens astigmatism was corrected at 100,000 times magnification 6 3JB3 Objective lens astigmatism was corrected at 135,000 times magnification. 5 3J4R Objective lens astigmatism was corrected at 100,000 times magnification 5 3JAT Objective lens astigmatism was corrected at 27,500 times magnification. 4 3J6O CTFFIND3
_em_imaging.c2_aperture_diameter 1.861 1 1.00 3 4216 9DKZ {2 - 150} /25 1387 9CPO 70 1106 9DKZ 50 1055 9D3G 100 495 9CZP 50.0 52 8RBT 30
_em_imaging.calibrated_defocus_max 0.436 1 1.00 3 988 9DKZ {-7000 - 30000} /122 150 9FA9 3000 126 9BHA 2500 85 9BH7 2000 46 9EQG 3500
_em_imaging.calibrated_defocus_min 0.448 1 1.00 3 1014 9DKZ {-2000 - 15000} /105 158 8VUW 1000 143 9FO5 500 90 8QHD 800 87 8WBZ 1500 72 9BHA 300 42 8QQM 1200
_em_imaging.calibrated_magnification 0.825 1 1.01 4 1877 9CLP {2250 - 587963} /461 93 9B95 105000
_em_imaging.cryogen 3.367 1 1.00 3 7610 9JSX NITROGEN 26 8Q6J HELIUM
_em_imaging.date 0.374 1 1.01 4 856 7ADP {word} /533 13 4V7A 2008-05-11
_em_imaging.details 0.297 1 1.02 3 137 9B95 {text} 506 9CL9 {line} 43 7Q2S {word} /315 25 7NOQ Areas of interest for high-resolution data collection were identified in low magnification montages. Prior to tomogram acquisition, gain references were acquired and the filter was fully tuned. Microscope tuning was performed using the FEI AutoCTF software. The ilumination mode used during acquisition was nanoprobe.
_em_imaging.detector_distance 0.077 1 1.00 1 172 3JCU 0.0 1 3JD5 800
_em_imaging.electron_beam_tilt_params 0.008 1 1.00 1 15 3JBG 0 4 3JCH 5
_em_imaging.electron_source 10.124 1 1.00 4 22618 9GYO FIELD EMISSION GUN 176 9CEW OTHER 92 9IUL LAB6 55 8K53 TUNGSTEN HAIRPIN 1 1OED FEG
_em_imaging.entry_id 10.129 1 1.00 4 22877 9GYO {word} 84 8E99 {8 - 8e+99}
_em_imaging.id 10.129 1 1.00 4 22886 9GYO 1 64 8QP0 2 10 8PQ5 3 1 3J9M 4
_em_imaging.illumination_mode 10.129 1 1.00 4 19410 9GYO FLOOD BEAM 2000 9CVG OTHER 1551 9IWS SPOT SCAN
_em_imaging.microscope_model 10.129 1 1.00 4 22961 9GYO {line} /62 17403 9DR1 FEI TITAN KRIOS 1518 9GYO TFS KRIOS 1100 9CPO FEI TALOS ARCTICA
_em_imaging.mode 10.129 1 1.00 4 21549 9GYO BRIGHT FIELD 641 9CVG OTHER 433 9DKZ DIFFRACTION 333 9C7V DARK FIELD 5 9C6N 4D-STEM
_em_imaging.nominal_cs 3.428 1 1.01 4 7785 9GYO {0 - 6.3} /69 6512 9GYO 2.7 286 9BPA 2.0
_em_imaging.nominal_defocus_max 6.876 1 1.00 4 15578 9GYO {-20000 - 50000} /345 2817 9JSX 2000 2786 9DR1 2500 1418 9CLP 3000 973 9CVG 2200 929 9GYO 1800 739 9CIA 1500
_em_imaging.nominal_defocus_min 6.896 1 1.00 4 15624 9GYO {-8000 - 16000} /261 3438 9GMO 1000 2356 9GYO 800 1886 9JSX 500 1587 9G2W 1200 1368 9GAW 1500 626 9IQT 700
_em_imaging.nominal_magnification 2.875 1 1.01 4 6536 9JSX {2250 - 310000} /181 1097 9GRE 105000 832 9D3E 130000 823 9GMO 81000 417 9EOQ 75000 323 8S8J 59000
_em_imaging.recording_temperature_maximum 0.403 1 1.02 4 926 9DKZ {4.2 - 298} /71 159 9DKZ 100 131 8UUO 70 88 8FYS 90 87 8S6H 80 76 9CV6 77 59 8ONA 105 31 9CIP 93
_em_imaging.recording_temperature_minimum 0.417 1 1.01 4 951 9DKZ {4.2 - 293} /60 189 9BHA 70 168 8S6H 80 112 9IKC 77 97 8S8J 90 74 8BMD 100 36 9CIP 93
_em_imaging.residual_tilt 0.046 1 1.00 1 104 8XCN {0.001 - 350} /24 27 8KB4 10 18 8XCN 0.01 12 8SGK 0.05 8 7ZYL 0.1 5 7KSM 0.14
_em_imaging.specimen_holder_model 3.132 1 1.00 3 6430 9DR1 FEI TITAN KRIOS AUTOGRID HOLDER 178 9GAW OTHER 176 8DN5 GATAN LIQUID NITROGEN 134 8PVJ GATAN 626 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER 81 9IWQ JEOL CRYOSPECPORTER 23 7E6T SIDE ENTRY, EUCENTRIC 23 7A02 JEOL 3200FSC CRYOHOLDER 18 7JTI GATAN 910 MULTI-SPECIMEN SINGLE TILT CRYO TRANSFER HOLDER 17 8WDU JEOL 7 7JMJ GATAN ULTST ULTRA LOW TEMPERATURE SINGLE TILT HELIUM COOLING HOLDER 7 6K1P GATAN CT3500 SINGLE TILT LIQUID NITROGEN CRYO TRANSFER HOLDER 5 3JB4 GATAN HELIUM 2 6QRZ GATAN 914 HIGH TILT LIQUID NITROGEN CRYO TRANSFER TOMOGRAPHY HOLDER 1 3JBB PHILIPS ROTATION HOLDER 1 5VKQ GATAN HCHST 3008 SINGLE TILT HIGH RESOLUTION HELIUM COOLING HOLDER 1 7XKJ FISCHIONE 2550
_em_imaging.specimen_holder_type 0.083 1 1.05 4 138 3JD6 {line} 60 3JCC {word} /58 24 4V7A Eucentric 24 3JC1 FEI TITAN KRIOS AUTOGRID HOLDER 18 3JCN GATAN LIQUID NITROGEN 13 3J48 Side entry liquid nitrogen-cooled cryo specimen holder 9 3JAW Gatan 626 holder
_em_imaging.specimen_id 10.129 1 1.00 4 22952 9GYO 1 6 8PQ5 2 3 8PQ5 3
_em_imaging.temperature 0.247 1 1.01 4 560 5G5P {4 - 300} /64 78 3JD8 100 72 3J45 93 51 3JCI 90 41 3JBA 95 39 5G5P 85 38 3JC9 77 31 5FIL 80 12 3J7R 70
_em_imaging.tilt_angle_max 0.170 1 1.00 1 385 3JD8 {-9999 - 79} /30 144 5ADX 0 129 3JD8 0.0 27 3JCE 0.00 20 5A9Q 60 12 3JA6 70
_em_imaging.tilt_angle_min 0.171 1 1.00 1 386 3JD8 {-9999 - 60} /21 153 5G2X 0 131 3JD8 0.0 27 3JCE 0.00 14 3JA6 -70
_em_imaging_optics.chr_aberration_corrector 0.019 1 1.00 1 11 8CKA not used 8 7NIQ none 7 8GTT None 5 7A6B TFS Monochromator 3 8G1I CEOS manufactured Cc corrector 2 8WDC Microscope was equipped with a Cc corrector 1 6RB9 Volta phase plate was used. Just prior to data collection, the phase plate was inserted and the un-scattered beam was made parallel by observing the Ronchigram in the back focal plane of the objective 1 7Q5A No corrector 1 8GNK No applicable 1 8GWA 2.7mm 1 5XJC -10 1 6M71 NONE
_em_imaging_optics.details 0.025 1 1.00 1 8 8UZ1 {text} 48 9FJY {line} /24 8 9FJY Gatan energy filter. 6 8GJ3 unfiltered mode 6 7PKH Gatan BioQuantum K3 4 8OPO BioContinuum Imaging Filter 4 8UZ1 Electron micrographs for image reconstructions were collected using Titan Krios equipped with X-cold field emission gun at 300 kV, Gatan image filter with slit width of 20 eV and a nanoprobe. 3 7OJI no phase plate 3 7ZE8 No energy filter was applied. 2 7FD9 Imaging was done in EFTEM mode. Images were collected using beam shift in a series of 3x3 holes before stage shift. Active beam tilt compensation was turned on during the acquisition.
_em_imaging_optics.energyfilter_lower 0.066 1 1.00 1 114 6D7L 0 28 6U5K -10 3 6F8L 20 1 5TJI -15 1 6C54 30 1 5MZ6 -20 1 6C0V 10
_em_imaging_optics.energyfilter_name 1.087 1 1.01 3 2424 9JSX {line} 50 6F8L {word} /28 1410 9GRE GIF Bioquantum 619 9C7V GIF Quantum LS 105 9JSX In-column Omega Filter
_em_imaging_optics.energyfilter_slit_width 1.073 1 1.01 3 2058 9JSX 20 208 9D3G 10 60 8PMK 30 47 9FJY 15 38 8U7U 25 9 8WDC 40 6 9EO4 5 4 6O2T 143 3 8A1W 7 2 7OGR 70 2 8J0J 18 2 8VBY 6 1 8GW6 14 1 7TN2 2
_em_imaging_optics.energyfilter_upper 0.066 1 1.00 1 106 6D7L 20 33 6U5K 10 3 3JAO 25 3 5OYG +10 1 3J6C 35 1 6C54 30 1 5TJI 15
_em_imaging_optics.id 1.826 1 1.00 3 4126 9JSX 1 16 8PUF 2 2 7KMT 3
_em_imaging_optics.imaging_id 1.826 1 1.00 3 4126 9JSX 1 16 8PUF 2 2 7KMT 3
_em_imaging_optics.phase_plate 0.069 1 1.00 1 110 9GBK VOLTA PHASE PLATE 37 8PE8 OTHER 3 7E6T ZERNIKE PHASE PLATE 2 6C24 Volta Phase Plate 2 6D9H The images were taken at 500 defocus 1 6NMI A Thermo Fisher Scientific Volta Phase Plate was used. 1 6OFJ Volta phase plate 1 6J60 no
_em_imaging_optics.sph_aberration_corrector 0.089 1 1.00 1 7 8RG0 {text} 162 9FJY {line} 27 8GWA {word} 4 7OTI {2.7 - 2.7} /68 29 8DNF Cs-corrected microscope 12 8WQP Microscope was modified with a Cs corrector 11 8WDC Microscope was equipped with a Cs corrector 11 8CKA not used 11 7NIQ none 9 6IOL CEOS Cs-corrector
_em_particle_selection.details 0.447 1 1.00 1 180 9B73 {text} 812 9GAW {line} 16 8VOV {word} 1 8HPA {1.0635e+06 - 1.0635e+06} /506 31 8F1A manual picking of filaments
_em_particle_selection.id 2.753 1 1.00 4 6220 9GYO 1 10 9B6G 2 2 8HDK 4 2 8HDK 3
_em_particle_selection.image_processing_id 2.753 1 1.00 4 6221 9GYO 1 11 9B6G 2 1 7AD3 4 1 7AD3 3
_em_particle_selection.num_particles_selected 2.712 1 1.00 4 6139 9GYO {1 - 2.14516e+09}
_em_sample_support.details 1.144 1 1.00 2 151 9ATW {text} 1536 9DKZ {line} 904 8R5I {word} 1 8EMH {40 - 40} /772 702 8TJE unspecified 284 5G5L HOLEY CARBON 84 5G05 CARBON
_em_sample_support.film_material 0.005 1 1.00 1 10 8RB7 CARBON 2 8PHJ HOLEY CARBON
_em_sample_support.grid_material 3.623 1 1.00 3 4880 9GRE COPPER 2974 9GYO GOLD 194 9EWX COPPER/RHODIUM 78 8JT7 MOLYBDENUM 44 9CK8 GRAPHENE OXIDE 26 8KGF NICKEL/TITANIUM 7 8S6H COPPER/PALLADIUM 5 8FG2 SILICON NITRIDE 2 8HAU NICKEL
_em_sample_support.grid_mesh_size 3.016 1 1.00 3 4023 9JSX 300 1414 9GYO 200 1382 9DR1 400 5 8TJX 50 1 5GZR 230 1 5OCV 167 1 7QEN 2 1 8CYR 2000 1 8F35 3000 1 6SWA 100
_em_sample_support.grid_type 3.837 1 1.00 3 6966 9GYO {line} 1727 9DR1 {word} /90 3365 9GYO Quantifoil R1.2/1.3 928 9GRE Quantifoil R2/1 924 9CWS Quantifoil R2/2 694 9JSX UltrAuFoil R1.2/1.3 518 9CG7 C-flat-1.2/1.3 374 9DKZ Quantifoil
_em_sample_support.id 4.980 1 1.00 3 11253 9GYO 1 22 8TRC 2 3 8PQ5 3
_em_sample_support.specimen_id 4.980 1 1.00 3 11258 9GYO 1 17 8TRC 2 3 8PQ5 3
_em_single_particle_entity.entry_id 4.134 1 1.02 128 9482 9GRE {word} 17 8E96 {80 - 8e+96}
_em_single_particle_entity.id 4.134 1 1.02 128 9499 9GRE {1 - 128} /128 9340 9GRE 1 18 9B6G 2
_em_single_particle_entity.image_processing_id 4.134 1 1.02 128 9419 9GRE 1 78 9B6G 2 1 7AD3 4 1 7AD3 3
_em_single_particle_entity.point_symmetry 4.129 1 1.02 128 9475 9GRE {word} /50 5463 9D9W C1 1058 9CV6 C2 726 9CWS I 570 9D94 C3 414 9CHQ C4
_em_software.category 10.054 1 14.40 91 24780 9GYO MODEL FITTING 23938 9GYO MODEL REFINEMENT 23596 9GYO RECONSTRUCTION 22847 9GYO CTF CORRECTION 22038 9GYO IMAGE ACQUISITION 21914 9GYO INITIAL EULER ASSIGNMENT 21901 9GYO FINAL EULER ASSIGNMENT 21865 9GYO CLASSIFICATION 21780 9GYO OTHER 21776 9GYO MASKING 21776 9GYO LAYERLINE INDEXING 21774 9GYO DIFFRACTION INDEXING 16019 9GYO PARTICLE SELECTION 10439 9GYO CRYSTALLOGRAPHY MERGING 7235 9GYO SYMMETRY DETERMINATION 5969 9GYO VOLUME SELECTION 5850 9GYO MOLECULAR REPLACEMENT 5835 9GYO LATTICE DISTORTION CORRECTION 5684 9GYO SERIES ALIGNMENT
_em_software.details 0.852 1 2.09 15 55 9FP5 {text} 2927 9GAW {line} 1033 9CK8 {word} 16 7QD8 {0.53 - 316}
_em_software.fitting_id 7.200 1 4.24 21 68759 9GYO 1 193 9F2K 2 28 8RZL 3 3 5YFP 6 3 5YFP 4 2 5YFP 7 2 5YFP 5
_em_software.id 10.058 1 14.39 91 327100 9GYO {1 - 93} /93 22725 9GYO 1 22552 9GYO 2 22206 9GYO 3 22025 9GYO 4 21889 9GYO 5 21843 9GYO 6 21821 9GYO 7 21791 9GYO 8 21788 9GYO 9 21787 9GYO 10
_em_software.image_processing_id 10.037 1 7.62 91 172312 9GYO 1 297 8ZH6 2 42 8ZFM 3 24 8FOK 4 12 8HJV 7 6 7WZW 12 6 7WZW 11 6 7WZW 10 6 7WZW 9 6 7WZW 8 6 7WZW 6 6 7WZW 13 6 7WZW 5
_em_software.imaging_id 9.627 1 3.13 19 67943 9GYO 1 45 8QP0 2 4 8PQ5 3
_em_software.name 6.321 1 5.70 24 4429 9DR1 {line} 76949 9GYO {word} /280 22165 9GYO RELION 16112 9DR1 cryoSPARC 9234 9DR1 PHENIX 5122 9DKZ Coot 3669 9GRE EPU
_em_software.version 4.611 1 4.53 24 593 9GAW {line} 18135 9DR1 {word} 28427 9GYO {0 - 110817}
_em_specimen.concentration 4.140 1 1.00 3 9367 9GYO {7.5e-05 - 1e+06} /411 749 9D3G 1 536 9CWS 0.5 474 9CLP 2 473 9DR1 5 360 9JSX 0.3
_em_specimen.details 1.253 1 1.00 2 451 9DKZ {text} 2293 9JSX {line} 95 8ZC9 {word} 1 8SUE {9 - 9}
_em_specimen.embedding_applied 10.129 1 1.00 3 22703 9GYO NO 208 8ZRK YES
_em_specimen.experiment_id 10.129 1 1.00 3 22911 9GYO 1
_em_specimen.id 10.129 1 1.00 3 22886 9GYO 1 22 8TRC 2 3 8PQ5 3
_em_specimen.shadowing_applied 10.129 1 1.00 3 22911 9GYO NO
_em_specimen.staining_applied 10.129 1 1.00 3 22782 9GYO NO 129 8T2I YES
_em_specimen.vitrification_applied 10.129 1 1.00 3 22725 9JSX YES 186 9GYO NO
_em_staining.details 0.008 1 1.00 1 3 6U3G Stained with 0.75% (w/v) uranyl formate 1 3J0K grids with adsorbed protein washed 3x with buffer containing 5% trehalose, 20 mM HEPES, 100 mM KCl, and 0.10 mM EDTA, then subjected to cryo-negative staining in a saturated solution (1.2M) of ammonium molybdate (pH 7.5) 1 3JBZ 2% uranyl acetate 1 8CPC The blue dye (Brillant blue) is used to see the crystals during cryo-sectioning 1 7T62 A 3 uL aliquot containing ~0.01 mg/mL of the samples was applied for 20 s onto a carbon-coated 200 Cu mesh grid (Electron Microscopy Sciences, Protochips, Inc.) that had been glow discharged at 30 mA for 30 s (Pelco easiGlow, Ted Pella, Inc.), then negatively stained with 0.7% (w/v) uranyl formate for 40 sec. 1 7QGQ Negatively stained EM samples were prepared by depositing sample on continuous carbon layer and staining with 2 % Uranyl Formate with blotting 1 5I08 3 uL sample was applied to grid for 30 seconds and then blotted. Grids were stained with 3 uL 1% uranyl formate for 60 seconds followed by blotting. 1 7LXY f 1 6U3E Negatively stained with 0.75% (w/v) uranyl formate 1 6N4C Negatively stained EM specimens were prepared using a 2% uranyl acetate solution. 1 5U6Y 0.75% (wt/vol) uranyl formate 1 5TRE Pre-incubated in HN100 buffer, the grid was placed on an 11 microliter drop of protein sample for 1 minute. Excess protein sample was blotted and washed for 3 seconds by placing the grid on a drop of sterile water. After excess water was blotted, the grid was stained with 1% w/v uranyl acetate for 1 second and 30 seconds by successively placing it on two separate drops of uranyl acetate, with excess stain drawn off after each step. 1 5T0V Pre-incubated in HN100 buffer, the grid was placed on an 11-microliter drop of protein sample for 1 minute. Excess protein sample was blotted and washed for 3 seconds by placing the grid on a drop of sterile water. After excess water was blotted, the grid was stained with 1% w/v uranyl acetate for 1 second and 30 seconds by successively placing it on two separate drops of uranyl acetate, with excess stain drawn off after each step. 1 5KZ5 5 and 30 seconds 1 5KC2 droplet technique
_em_staining.id 0.056 1 1.00 1 127 8T2I 1
_em_staining.material 0.056 1 1.00 1 35 8I23 Uranyl Acetate 21 7XF2 uranyl acetate 14 8T2I Uranyl Formate 11 1O1G Osmium tetroxide, Uranyl Acetate 10 6ANU negative stain 8 8AJO Uranyl acetate 5 7T62 uranyl formate 5 4BKK Ammonium Molybdate 4 7RR8 2% uranyl acetate 3 6AVU Uranyl formate 2 7PQP SDS PAGE and Coomassie 1 7LXY Ethane 1 7JYI PTA 1 7WL3 Phosphotungstic acid 1 7XBK Uranyl Acetare 1 7N4T 2 % uranil acetate 1 8CPC Brilliant blue 1 3J0K ammonium molybdate 1 1Q5A Osmium tetroxide and Uranyl Acetate 1 5KZ5 1% uranyl acetate
_em_staining.specimen_id 0.056 1 1.00 1 127 8T2I 1
_em_staining.type 0.056 1 1.00 1 120 8T2I NEGATIVE 7 8CPC NONE
_em_virus_entity.details 0.001 1 1.00 1 1 1M0F Assembly intermediate called the Procapsid 1 3J1S Single-stranded DNA Parvovirus
_em_virus_entity.empty 0.698 1 1.00 2 1161 9D9X NO 419 9CWS YES
_em_virus_entity.entity_assembly_id 0.729 1 1.04 6 1573 9JA0 1 101 8Y0R 2 34 8Y0R 3 6 8USN 4 6 8UST 5 1 6IAC 6
_em_virus_entity.enveloped 0.697 1 1.00 2 1149 9D9X NO 429 9FJK YES
_em_virus_entity.id 0.729 1 1.04 6 1643 9JA0 1 39 8Y0R 2 29 8Y0R 3 4 7LOK 4 4 8UST 5 2 8UST 6
_em_virus_entity.virus_host_category 0.065 1 1.00 1 6 3J7N {line} 140 3JD7 {word} /24 85 3JD7 VERTEBRATES 14 3JB5 BACTERIA(EUBACTERIA) 13 3JB3 INVERTEBRATES 6 3J4B BACTERIA
_em_virus_entity.virus_isolate 0.714 1 1.00 2 814 9CWS STRAIN 372 9FJK OTHER 285 9D9X SPECIES 133 9G0B SEROTYPE 9 8XEG SUBSPECIES 5 8XQB SEROCOMPLEX
_em_virus_entity.virus_type 0.724 1 1.00 2 1252 9JA0 VIRION 363 9CWS VIRUS-LIKE PARTICLE 9 7XOE PRION 9 8VDE SATELLITE 6 9CVG VIROID
_em_virus_natural_host.entity_assembly_id 0.399 1 1.05 6 881 9D9X 1 36 8UST 2 17 8UST 3 6 8USN 4 6 8UST 5 2 8UA4 6
_em_virus_natural_host.id 0.399 1 1.05 6 934 9D9X 1 5 8UST 2 4 8UST 3 2 8UST 6 2 8UST 5 1 8UA4 4
_em_virus_natural_host.ncbi_tax_id 0.391 1 1.01 6 894 9D9X {237 - 2.75528e+06} /151 346 9CWS 9606 51 8IXK 562 27 7NOQ 32644
_em_virus_natural_host.organism 0.395 1 1.01 6 847 9D9X {line} 55 8I4M {word} /164 338 9CWS Homo sapiens 51 8IXK Escherichia coli 27 7NOQ unidentified
_em_virus_natural_host.strain 0.046 1 1.00 1 36 8RBT {line} 65 9FFH {word} 4 8CEZ {3 - 6919} /49 14 8RQE BAA-28 9 8BCU F 7 8QKH CCM 8428 5 6Q3G dTarM 4220
_em_virus_shell.diameter 0.192 1 1.01 2 438 9CWS {26 - 2600} /108 55 9FP5 300 18 9CVF 400
_em_virus_shell.entity_assembly_id 0.231 1 1.06 5 523 9D93 1 19 7KCR 2 9 7CMK 3 1 5TC1 4 1 5TC1 5
_em_virus_shell.id 0.231 1 1.06 5 545 9D93 1 6 8RBT 2 2 8RBT 3
_em_virus_shell.name 0.159 1 1.02 3 191 9D93 {line} 176 9FJE {word} /107 68 8R0G Capsid 45 9FJE capsid 24 7NOQ CANC polyhedra 13 8RQE JBD30 capsid
_em_virus_shell.triangulation 0.189 1 1.01 2 139 9CWS 1 118 9G0B 3 57 8RQE 7 38 8PX6 4 19 8TEW 16 14 8CKB 9 10 8OZK 13 8 7ZUF 2 7 7S78 25 7 8ILQ 12 6 8A05 21 2 8RBT 169 2 6QT9 28 2 8Y6V 27 1 6WKK 52 1 6OJN 247 1 5J7V 277
_em_virus_synthetic.entity_assembly_id 0.008 1 1.00 1 19 8B3Q 1
_em_virus_synthetic.id 0.008 1 1.00 1 19 8B3Q 1
_em_virus_synthetic.ncbi_tax_id 0.000 1 1.00 1 1 7ENN 32630
_em_virus_synthetic.organism 0.000 1 1.00 1 1 7ENN synthetic construct
_em_virus_synthetic.strain 0.008 1 1.00 1 7 7ZQP F 4 7ZUF BY4741 3 8B3Q F+ strains 2 7M12 G3 1 7NS2 MHOM/BR/75/M4147 1 7S78 ts1 mutant
_em_vitrification.chamber_temperature 3.823 1 1.00 3 8654 9JSX {4 - 375.15} /115 3241 9GG6 277 1096 9DR1 277.15 604 9FP5 295 561 9CL9 298 411 9JSX 283
_em_vitrification.cryogen_name 10.021 1 1.00 3 21246 9JSX ETHANE 1059 9GMO ETHANE-PROPANE 266 8YE9 NITROGEN 43 8X5E OTHER 29 8R8Q PROPANE 19 8U5Y HELIUM 7 7X5M METHANE
_em_vitrification.details 1.611 1 1.00 3 706 9GBK {text} 2909 9DKZ {line} 35 9EVD {word}
_em_vitrification.entry_id 10.039 1 1.00 3 22625 9JSX {word} 84 8E99 {8 - 8e+99}
_em_vitrification.humidity 4.339 1 1.00 3 9819 9JSX {0 - 100} /36 7417 9JSX 100 1096 9DKZ 95 635 9CL9 90 173 9GBK 80
_em_vitrification.id 10.039 1 1.00 3 22683 9JSX 1 23 8TRC 2 3 8PQ5 3
_em_vitrification.instrument 4.718 1 1.00 3 7754 9JSX FEI VITROBOT MARK IV 739 9DKZ LEICA EM GP 600 9GAW FEI VITROBOT MARK III 536 9GBK HOMEMADE PLUNGER 374 9CGZ FEI VITROBOT MARK I 276 8Y0X FEI VITROBOT MARK II 222 9CZP GATAN CRYOPLUNGE 3 67 9EME LEICA PLUNGER 53 8SXU LEICA EM CPC 41 9EQ4 SPOTITON 13 8JT7 LEICA KF80 7 2XZB REICHERT-JUNG PLUNGER 3 8WXF CRYOSOL VITROJET 1 4V4U ZEISS PLUNGE FREEZER CRYOBOX
_em_vitrification.method 0.105 1 1.00 1 19 3JBS {text} 218 3JD5 {line} /115 18 3JBR Blot for 2 seconds before plunging 9 3J2H Blot for 1 seconds before plunging
_em_vitrification.specimen_id 10.039 1 1.00 3 22684 9JSX 1 22 8TRC 2 3 8PQ5 3
_em_vitrification.temp 0.080 1 1.00 1 181 6ET5 {76 - 277} /27 43 3JD4 90 32 3JBY 120 17 3JCA 77 14 3JCU 100 12 3JCL 93 9 3JAW 90.4
_em_vitrification.time_resolved_state 0.004 1 1.00 1 9 4V7A Samples were vitrified at different time points along the reaction coordinate (1, 2, 5 and 20 minutes after addition of deacylated tRNAfMet to 70S-fMetVal-tRNAVal complexes). 1 3IYP Vitrified 1 hour after mixing DAF with EV7
_em_volume_selection.details 0.041 1 1.00 1 17 8WDC {text} 76 8TO0 {line} /23 24 7NOQ The starting positions were defined by template matching. See materials and methods for details. 19 5MDG Subtomograms were extracted along the manually rendered core surface of each viral particle. 12 6T7D 1733 vesicles and near-complete buds were picked from 61 tomograms. Subtomograms were extracted from the surface of the vesicles. 6 8D4G Tubes were annotated by tracing the center of the tube in Dynamo and recording the average apparent diameter. Initial subtomogram positions were picked using uniform radial and axial sampling. 5 8BQE RELION subtomogram averaging 4 6RZW with the use of Dynamo Catalogue system
_em_volume_selection.id 0.123 1 1.00 1 277 9EVD 1
_em_volume_selection.image_processing_id 0.123 1 1.00 1 277 9EVD 1
_em_volume_selection.method 0.017 1 1.00 1 33 8RYT {line} 6 8BQE {word} /21 7 8B6L Template matching 4 6RZW Geometry-assisted particle picking form tube surfaces 4 7PTT RELION 3 5KHF manual picking 3 6T64 Subvolumes were defined according to their position on the VLPs 2 6YAI geometrically defined initial positions 2 8RBT template matching 1 6Z9M Manual
_em_volume_selection.num_tomograms 0.123 1 1.00 1 277 9EVD {1 - 112237} /93 25 7NOQ 49 20 5MDG 103 15 7PER 54 14 7PAU 356 10 8PUF 69
_em_volume_selection.num_volumes_extracted 0.123 1 1.00 1 277 9EVD {20 - 1.25816e+06} /150 24 7NOQ 220000 19 5MDG 652618 14 7PAU 77539 10 8PUF 245000
_em_volume_selection.reference_model 0.029 1 1.00 1 20 5MDG reference free 6 8D4G Reference-free 5 8C8R None 4 6YAI reference-free 4 6EPF average of manual picked subtomograms 4 6RZW global average of the particles rotated to the known initial orientations 4 7PTT Ab initio 3 8YB7 EMD-11514 2 5NZS EMDB-2985 low pass filtered to 55A 2 5KHF none 2 8RBT EhV-201 virion vertex reconstruction coming out of localized single particle reconstruction 1 6ZJM EMD-4867 1 6ZWV Reference Free 1 7AQK Reference generated from manually selected particles 1 7NIE random particle from the dataset 1 8D87 crystal structure 1 8B6L Subtomogram average of ER membrane-associated ribosome 1 7BL1 two Gaussian filtered elipsoids 1 8BQE EMDF 1 6PWB de novo
_entity.details 7.164 1 1.41 81 3637 9DKZ {text} 17552 9DP3 {line} 1577 9DSZ {word} 11 7O73 {1 - 7111}
_entity.formula_weight 100.000 1 4.84 455 1094621 9GYO {2.014 - 6.06192e+06}
_entity.id 100.000 1 4.85 455 1095798 9GYO {1 - 455} /455 225946 9GYO 1 209214 9GYO 2 180456 9GYO 3 133002 9GYO 4 83855 9GYO 5 49462 9GYO 6
_entity.pdbx_description 100.000 1 4.85 455 35787 9DTC {text} 658630 9GYO {line} 401375 9GYO {word} 5 7V61 {2 - 3e+08}
_entity.pdbx_ec 45.467 1 1.20 48 4 7YCX {text} 2856 9AZX {line} 120638 9GYO {word}
_entity.pdbx_fragment 27.016 1 1.20 89 193 8TLQ {text} 69774 9DUE {line} 3394 9DHH {word} 4 6KWT {1 - 295}
_entity.pdbx_mutation 20.830 1 1.06 14 259 8VQR {text} 15835 9DP4 {line} 33580 9GII {word} 80 8W2O {0 - 8}
_entity.pdbx_number_of_molecules 100.000 1 4.85 455 1095798 9GYO {1 - 17738}
_entity.src_method 100.000 1 4.85 455 435041 9GYO syn 359527 9DUE nat 301230 9GYO man
_entity.type 100.000 1 4.85 455 489661 9GYO polymer 408937 9GYO non-polymer 176254 9DUE water 20946 9D77 branched
_entity_keywords.entity_id 0.101 1 1.28 23 292 2N8R {1 - 56} /28 188 2N8R 1 49 4JO4 2 24 2AST 3 7 4JO4 4
_entity_keywords.text 0.094 1 1.28 23 9 1Z1Y {text} 197 3J8A {line} 64 2N8R {word} 2 4JO4 {2 - 2} /165 40 1DDP DEOXYRIBONUCLEIC ACID 24 4V4P MONOMER 10 1DHH RIBONUCLEIC ACID
_entity_name_com.entity_id 60.334 1 1.77 83 240999 9GYO {1 - 128} /115 126564 9GYO 1 25082 9GUF 2 11450 9GYO 3
_entity_name_com.name 60.334 1 1.77 83 21238 9DR1 {text} 185707 9GYO {line} 34052 9DRA {word} 2 7CBP {7 - 64320}
_entity_name_sys.entity_id 0.774 1 1.13 14 1469 2MEY 1 222 2M1R 2 172 2RT8 3 28 3CIR 4 16 2R7Z 5 11 2R7Z 6 11 2R7Z 7 9 2R7Z 8 9 2R7Z 9 9 2R7Z 10 9 2R7Z 11 8 2R7Z 12 4 2R7Z 13 3 2R7Z 14 1 2R7Z 15
_entity_name_sys.name 0.774 1 1.13 14 2 226D {text} 191 2MEY {line} 1788 2RT8 {word} /531 67 2AH4 E.C.3.4.21.4
_entity_poly.entity_id 99.988 1 2.17 455 489661 9GYO {1 - 455} /455 225920 9GYO 1 60861 9GYO 2 29098 9GYO 3 15391 9GYO 4
_entity_poly.nstd_linkage 99.988 1 2.17 455 489661 9GYO no
_entity_poly.nstd_monomer 99.988 1 2.17 455 448704 9GYO no 40957 9DTL yes
_entity_poly.pdbx_seq_one_letter_code 99.988 1 2.17 455 413357 9GYO {text} 76304 9GYO {word}
_entity_poly.pdbx_seq_one_letter_code_can 99.988 1 2.17 455 403922 9GYO {text} 85739 9GYO {word}
_entity_poly.pdbx_strand_id 99.988 1 2.17 455 291 9CGM {text} 478087 9GYO {word} 11283 9GMO {0 - 611}
_entity_poly.pdbx_target_identifier 5.743 1 1.02 52 201 7U0U {line} 11788 9DTL {word} 1272 7UI3 {1 - 464995}
_entity_poly.type 99.988 1 2.17 455 450039 9GYO polypeptide(L) 22803 9DR1 polydeoxyribonucleotide 16352 9DR1 polyribonucleotide 299 9C7B polydeoxyribonucleotide/polyribonucleotide hybrid 160 9BJO polypeptide(D) 5 5EMF peptide nucleic acid 3 5DGF other
_entity_poly_seq.entity_id 99.988 2 586.33 100495 132464059 9GYO {1 - 455} /455 74797732 9GYO 1 13255001 9GYO 2 6504194 9GYO 3
_entity_poly_seq.hetero 99.988 2 586.33 100495 132462512 9GYO n 1547 9EWK y
_entity_poly_seq.mon_id 99.988 2 586.33 100495 132463979 9GYO {word} 80 8ZCJ {0 - 4e+09}
_entity_poly_seq.num 99.988 2 586.33 100495 132464059 9GYO {1 - 19000}
_entity_src_gen.entity_id 88.056 1 1.40 147 277805 9GYO {1 - 147} /147 200946 9GYO 1 35039 9GYO 2 14715 9GYO 3 7616 9GYO 4
_entity_src_gen.expression_system_id 0.000 1 1.00 1 1 5BS2 plasmid
_entity_src_gen.gene_src_common_name 45.164 1 1.43 87 8357 9JA1 {text} 25005 9DO4 {line} 112368 9GYO {word} 2 4RX4 {550 - 11676}
_entity_src_gen.gene_src_details 0.882 1 1.29 49 244 8W7X {text} 1940 9FZD {line} 346 8V9L {word} 49 6ZON {1 - 602}
_entity_src_gen.gene_src_genus 15.575 1 1.13 15 1064 8J90 {line} 38841 6CNY {word} /812 10734 2L5G Homo 3842 2KAT Escherichia 2055 2KDT Mus 1294 3HYH Saccharomyces
_entity_src_gen.gene_src_species 2.132 1 1.09 7 4935 3T2G {line} 305 2L5G {word} 7 8J90 {562 - 10116} /377 557 2RBS Enterobacteria phage T4 sensu lato 453 2K1S Escherichia coli 370 3BK2 Thermus thermophilus 237 2ZGW Pyrococcus horikoshii
_entity_src_gen.gene_src_strain 19.302 1 1.23 139 17 8FBF {text} 24872 9CM8 {line} 26698 9DSY {word} 2162 9BJA {1 - 9.1e+136}
_entity_src_gen.gene_src_tissue 0.483 1 1.12 5 322 8VD2 {line} 895 9DKZ {word} 1 6H80 {866768 - 866768} /273 102 6R2W BLOOD 70 4D1E MUSCLE 49 5FNF MELANOMA
_entity_src_gen.gene_src_tissue_fraction 0.005 1 1.09 2 5 1F41 PLASMA 3 1FQF SERUM 1 1EWW HEMOLYMPH 1 1EX0 PLASMA, PLATELET, PLACENTA 1 1Z53 Protein present in yeast inner mitochondrial membrane 1 3FKS mitochondria
_entity_src_gen.host_org_common_name 5.167 1 1.89 49 1328 9GBK {text} 10644 9DN4 {line} 10126 9IWS {word} 8 6NGS {4 - 469008} /165 4632 9FJK Human 4426 9IWS human 4426 9CWS fall armyworm 1907 9CYM cabbage looper 1087 9DN4 Chinese hamster
_entity_src_gen.host_org_details 0.730 1 1.20 10 59 8QPO {text} 1352 9DAM {line} 576 9G40 {word}
_entity_src_gen.host_org_genus 13.640 1 1.14 15 16 2RKJ {line} 35010 6CNY {word} /72 31467 6CNY Escherichia 844 3CY4 Spodoptera
_entity_src_gen.host_org_species 4.031 1 1.11 6 9961 6CNY Escherichia coli 63 2L5G coli 15 1JH0 Rhodobacter sphaeroides 13 1Q0Z Streptomyces lividans 9 2QPE Thermus thermophilus 5 2OEA Enterobacteria phage T4 sensu lato 3 1JRZ Shewanella frigidimarina 3 2FZ2 Brassica rapa 2 1IJS Canis lupus 2 2A3P Desulfovibrio desulfuricans 1 1TQY Streptomyces coelicolor 1 3HGK plasmid 1 1S8J Halobacterium salinarum 1 2CVC Shewanella oneidensis
_entity_src_gen.pdbx_alt_source_flag 88.056 1 1.40 147 277805 9GYO sample
_entity_src_gen.pdbx_beg_seq_num 47.479 1 1.60 146 171816 9GYO {0 - 4897} /836 161496 9GYO 1 219 6FKV 2
_entity_src_gen.pdbx_description 1.721 1 1.14 49 213 5GHD {text} 3963 8POK {line} 263 7T0K {word}
_entity_src_gen.pdbx_end_seq_num 47.478 1 1.60 146 171816 9GYO {0 - 7249}
_entity_src_gen.pdbx_gene_src_atcc 1.560 1 1.12 15 1 1J4A {text} 272 9B43 {line} 523 8S7F {word} 3152 9JFN {8 - 7.00008e+06} /740 153 8TFG 25618
_entity_src_gen.pdbx_gene_src_cell 0.317 1 1.35 7 313 8VD2 {line} 652 9DKZ {word} /211 50 8UFU endothelial 45 2W72 RED BLOOD CELL
_entity_src_gen.pdbx_gene_src_cell_line 0.482 1 1.23 7 2 1VBT {text} 229 8W8F {line} 1015 8ZFM {word} 98 7RKP {293 - 49882} /225 459 7K3S BL21 89 5TE4 293 56 5WCF SF9
_entity_src_gen.pdbx_gene_src_cellular_location 0.440 1 1.11 9 222 5OSQ {line} 887 3JCK {word} /116 453 2HS7 CYTOPLASM 98 5DPX PERIPLASM 73 2WCY EXTRACELLULAR 54 2ODG NUCLEUS
_entity_src_gen.pdbx_gene_src_fragment 0.018 1 1.38 3 47 6QUV {line} 8 5BPA {word} /30 8 1AJ7 CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS 4 2H5R Coral 3 1ENV 30 - 154 3 5VQL RORgt-LBD 260-507 3 5BPA 104-274 2 1CLY CH1, IGG1
_entity_src_gen.pdbx_gene_src_gene 66.573 1 1.34 124 1969 9D91 {text} 111471 9GYO {line} 87480 9GYO {word} 447 9DO4 {0.3 - 1.62286e+08}
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 87.751 1 1.40 147 231 8IOA {line} 103 9AZO {word} 276657 9GYO {2 - 3.05258e+06}
_entity_src_gen.pdbx_gene_src_organ 0.813 1 1.14 5 178 8J2N {line} 1923 8YLZ {word} 2 8VZM {9606 - 25618} /190 224 7TS1 BRAIN 211 5FV4 LIVER 181 8UFQ brain 141 6XHD PANCREAS 116 6UZ0 HEART 82 4BDV BLOOD
_entity_src_gen.pdbx_gene_src_organelle 0.087 1 1.27 9 14 3JBK {line} 237 3JBY {word} /45 112 5FIL MITOCHONDRIA 35 5A4D CHLOROPLAST 12 1HF0 NUCLEUS
_entity_src_gen.pdbx_gene_src_scientific_name 88.046 1 1.40 147 161 8W26 {text} 276329 9GYO {line} 1280 9CWS {word}
_entity_src_gen.pdbx_gene_src_variant 0.495 1 1.13 6 561 9CU9 {line} 675 9FGT {word} 31 8Z1R {1 - 318829} /602 24 9FGT omicron
_entity_src_gen.pdbx_host_org_atcc 0.237 1 1.79 14 18 8E1B {line} 734 9JFN {word} 204 8ZKC {293 - 700550} /88 362 9AYF CRL-3022 77 9AYF CRL-1711 55 9D77 CRL-1573 49 8PUH CRL-3216 39 7ADP 3022
_entity_src_gen.pdbx_host_org_cell 0.489 1 1.57 14 2 4MCS {text} 776 9D77 {line} 945 9CTH {word} 14 6WRP {1 - 293} /368 67 8R4X HEK293
_entity_src_gen.pdbx_host_org_cell_line 4.013 1 1.72 29 43 8PN0 {text} 3740 9IMA {line} 11773 9DN4 {word} 36 8POW {2 - 62077}
_entity_src_gen.pdbx_host_org_cellular_location 0.286 1 1.12 5 94 6SIC {line} 628 4R96 {word} /46 450 4OAR CYTOPLASM 80 1TU2 PERIPLASM 34 1H9V INCLUSION BODIES
_entity_src_gen.pdbx_host_org_culture_collection 0.006 1 1.29 3 3 1A98 ATCC 87050 3 1DIO ATCC 8724 2 5REQ CYTOPLASM 2 1QFK ATCC CRL 1632 1 1ZPD ATCC 29191 1 6ALD ATCC 77473 1 3LRI ATCC 33876 1 1GGL ATCC 454664 1 3QDN 469008 1 1IGR CRL:1737 1 3B2W Insect cell 1 6SIC 9
_entity_src_gen.pdbx_host_org_gene 0.640 1 1.09 4 5 1TIP {text} 555 3MOG {line} 1015 3KMM {word} 3 1DEL {1 - 8397} /690 35 1B54 T7
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 85.303 1 1.40 147 26 7UIB {line} 270569 9GYO {2 - 3.05222e+06} /725 123382 9GYO 562 60757 9JSX 469008 23671 9DKZ 9606 15159 9GYO 7108 10189 9DTL 511693
_entity_src_gen.pdbx_host_org_organ 0.174 1 1.58 6 46 7B0S {line} 577 9D77 {word} /46 162 9D77 Kidney 99 8VEV KIDNEY 97 8VBR kidney 89 8VD2 ovary 24 8Q5X /
_entity_src_gen.pdbx_host_org_organelle 0.006 1 1.46 3 8 364D CYTOSOL 2 1QFK NUCLEUS 1 1FSU LYSOSOME 1 2HFH INCLUSION BODIES 1 1F9D BL21 DE3 1 1FX7 TB444 COSMID 1 1M8V PLASMID 1 2L6G 469008 1 1PEX PURIFIED FROM SERUM FREE CONDITIONED CELL CULTURE MEDIUM 1 1PHM SECRETORY VESICLES 1 6SIC sample
_entity_src_gen.pdbx_host_org_scientific_name 85.978 1 1.40 147 3237 9JDT {text} 268059 9GYO {line} 1015 9IT1 {word} /994 135922 9GYO Escherichia coli 38495 9JSX Escherichia coli BL21(DE3) 22952 9DKZ Homo sapiens 14405 6AV7 ESCHERICHIA COLI 13803 9GYO Spodoptera frugiperda 7046 9GJ2 Trichoplusia ni
_entity_src_gen.pdbx_host_org_strain 33.434 1 1.16 128 97 7TH3 {text} 16924 9FZK {line} 70346 9DTC {word} 168 9B3R {4 - 4.3e+08}
_entity_src_gen.pdbx_host_org_tissue 0.097 1 1.55 9 109 9D77 {line} 233 8V4I {word} /69 30 6EYK OVARY 25 8E3C Muscle 24 8T7E Ovary 24 8Q5X / 24 8PBT Kidney 20 8PBU kidney 19 7AWQ embrionic kidney 19 8U70 embryonic kidney 16 8E38 muscle
_entity_src_gen.pdbx_host_org_tissue_fraction 0.002 1 1.00 1 1 3FC1 insect cells 1 3FKS mitochondria 1 3IA1 BL21(DE3)-CODON+RIL(STRATAGENE) 1 3HGK PGEX-6P-1 1 3JC2 reticulocyte translation extract in the presence of canine microsomes
_entity_src_gen.pdbx_host_org_variant 3.876 1 1.21 15 9 6S1X {text} 2349 9G7H {line} 8237 9DDY {word} 16 7KOO {4 - 62077}
_entity_src_gen.pdbx_host_org_vector 4.045 1 1.13 8 1093 8ZMG {line} 9198 9C66 {word}
_entity_src_gen.pdbx_host_org_vector_type 36.709 1 1.17 21 1 1AP7 {text} 1073 9D77 {line} 95716 9DUE {word} 2 8VZM {562 - 469008}
_entity_src_gen.pdbx_seq_type 46.820 1 1.59 146 168361 9GYO Biological sequence 1 4P5T Linker
_entity_src_gen.pdbx_src_id 88.056 1 1.40 147 277805 9GYO {1 - 21} /21 268305 9GYO 1 7364 9GYO 2
_entity_src_gen.plasmid_details 0.101 1 1.17 5 12 4RLY {text} 199 8P8G {line} 49 6S6Y {word} 7 4NVC {562 - 469008} /164 9 3MHS T7 based
_entity_src_gen.plasmid_name 35.955 1 1.16 21 13 7O3T {text} 6644 9DN4 {line} 87736 9DUE {word} 11 7FEW {51 - 2.09e+08}
_entity_src_nat.common_name 5.866 1 6.61 106 21233 9GBK {text} 11641 9CV6 {line} 54764 9JSV {word} 1 7KPX {559292 - 559292} /926 14416 8K2D Baker's yeast 12867 9JSV human 9839 8QU5 Human 5359 8QV3 baker's yeast 4924 9G40 pig 3984 8JO3 Rabbit
_entity_src_nat.details 0.832 1 3.75 92 159 8GXW {text} 2006 8WZV {line} 4879 8QRN {word} 1 4F5X {10922 - 10922} /957 4283 8QRN cell 60 1NJI cultured cells
_entity_src_nat.entity_id 10.109 1 7.84 151 179025 9JSV {1 - 150} /150 21443 9JSV 1 10989 9GMO 2 7214 9GMO 3
_entity_src_nat.genus 2.626 1 2.13 55 194 8HFR {line} 12428 8HFR {word} 28 3UNF {10090 - 10090} /599 1384 4V63 Thermus 1310 4V63 Escherichia 1208 3CJC Bos 1200 2QA4 Haloarcula 1090 3CAJ Homo 677 3E47 Saccharomyces 653 3CLF Mus 314 2QZY Gallus
_entity_src_nat.pdbx_alt_source_flag 10.109 1 7.84 151 179025 9JSV sample
_entity_src_nat.pdbx_atcc 0.181 1 5.48 84 149 8I7J {line} 342 8Q5W {word} 1743 9C4G {990 - 700922} /154 695 6R10 27634 183 8OUF CRL-3216 169 7OCI 204508 137 9C4G 11827 115 4BTS 30382 92 8FN2 35210
_entity_src_nat.pdbx_beg_seq_num 4.804 1 12.93 151 140302 9JSV {1 - 4541} /288 139495 9JSV 1 37 9B34 119
_entity_src_nat.pdbx_cell 0.130 1 2.60 86 425 6WYD {line} 339 9ATU {word} /97 258 3JAI reticulocyte lysate 36 5A0Q ERYTHROCYTES
_entity_src_nat.pdbx_cell_line 0.238 1 8.83 88 860 8QRH {line} 3877 9JSV {word} 4 8TIM {293 - 293} /172 1283 8Y0X HEK293F 569 8T9D HELA 523 9BQ2 HEK293 401 8QRM HEK293T 181 8OIT HEK293 EBNA
_entity_src_nat.pdbx_cellular_location 0.169 1 1.84 35 330 3JBQ {line} 373 9BP6 {word} /78 180 4ADX CYTOPLASM 75 1H5N PERIPLASM 62 2BCC MITOCHONDRIAL INNER MEMBRANE 40 3A0H thylakoid membrane 28 1ILX THYLAKOID MEMBRANE
_entity_src_nat.pdbx_end_seq_num 4.804 1 12.93 151 140304 9JSV {2 - 19000}
_entity_src_nat.pdbx_fragment 0.003 1 1.14 2 2 1YEH FAB 2 1D3I 1 - 185 2 6QUX KRAS mutated (G12D). Nucleotide exchange to GPPCP. Cons.. 1 5M3A BRD4 bromodomain 1 corresponding to pdb id 2OSS 1 5MW2 Corresponding to pdb id 1R28. Obtained from Emerald BI..
_entity_src_nat.pdbx_ncbi_taxonomy_id 10.067 1 7.86 151 13 7Z7V {line} 178874 9JSV {17 - 3.06767e+06}
_entity_src_nat.pdbx_organ 0.741 1 3.16 86 1 1EUF {text} 247 8R2I {line} 5049 9GG6 {word} /177 1163 8CA1 heart 614 8Q4G HEART 497 8PKG Heart 336 5A6U PANCREAS 297 8R5V pancreas 295 9GG6 Brain 272 5AJ4 LIVER 174 8OIQ Liver
_entity_src_nat.pdbx_organelle 0.056 1 5.33 74 38 3JBQ {line} 634 5J8K {word} /31 359 5J8K MITOCHONDRIA 139 2XOK MITOCHONDRION 32 3JD5 mitochondrion
_entity_src_nat.pdbx_organism_scientific 10.109 1 7.84 151 73 9CC3 {text} 178755 9JSV {line} 195 9EX0 {word}
_entity_src_nat.pdbx_plasmid_details 0.121 1 5.26 148 10 8AY5 {text} 1066 9GRE {line} 360 9IY2 {word} /140 294 8GZU Institute of Hydrobiology, Chinese Academy of Sciences 293 8J9J Shanghai Guangyu Biological Technology Co., Ltd. 164 8Q87 embryo 101 6QA9 Ovis aries (sheep) hearts were purchased from C Humphreys & Sons (Chelmsford, UK). 54 7W5Z Tetrahymena Stock Center at Cornell University
_entity_src_nat.pdbx_plasmid_name 0.013 1 1.13 2 1 1B1C {line} 33 3F7O {word} /26 4 2WSY PSTB7 3 1QNV PNS1 2 2GNK PNV102 2 1PLU HB101 2 4REQ PMEX1 1 1HEZ PKK223-3
_entity_src_nat.pdbx_secretion 0.129 1 1.19 3 62 3WKY {line} 285 6PNW {word} /61 86 6PNW VENOM 85 4OM5 venom 37 3E9X MILK 18 3JR8 Venom 10 3CI8 Milk
_entity_src_nat.pdbx_src_id 10.109 1 7.84 151 178212 9JSV 1 462 9B4H 2 133 8RO0 3 54 7TDK 4 48 7TDK 5 37 7TDK 7 37 7TDK 6 21 6H8K 8 20 5TB4 9 1 5IT9 34
_entity_src_nat.pdbx_variant 0.126 1 5.24 63 1 7ZAI {text} 770 8F2H {line} 704 9B1E {word} 13 6F5D {5 - 152037} /127 281 7OF7 GTPBP6 -/- 208 6OXI HB8 137 8AP8 Lister 427 61 6YS3 delta tig
_entity_src_nat.species 0.177 1 2.78 55 1035 4RMP {line} 73 2MIX {word} /99 519 4V63 Thermus thermophilus 63 1XYR Poliovirus 56 3CBI Daboia russellii 49 3NY7 Escherichia coli
_entity_src_nat.strain 1.894 1 11.99 151 6 6LM2 {text} 24678 8RW1 {line} 26264 9CEP {word} 376 8BD3 {1 - 9.89015e+07}
_entity_src_nat.tissue 0.790 1 2.58 80 953 9JST {line} 3653 9CTH {word} /291 713 8G4L heart 294 7QSO HEART 286 4D6U MUSCLE 265 5FMW BLOOD 221 9FJO Skeletal muscle
_entity_src_nat.tissue_fraction 0.012 1 1.32 3 6 2BEH plasma 4 4F3D RPE microsomes 4 3AT6 red blood cells 3 1EI3 BLOOD PLASMA 3 1LEL egg white 2 2ESG serum 2 1JMO blood plasma 2 1ND6 Seminal Plasma 2 1T61 Placenta 2 2YRS Hemoglobin 2 1F10 EGG WHITE 2 1F3D ASCITES FLUID 1 1BQF HEMOLYMPH 1 5YL3 heart 1 1DLE SERUM
_entry.id 100.000 1 1.00 1 225207 9GYO {word} 739 8E99 {1 - 8e+99}
_exptl.absorpt_correction_T_max 0.000 1 1.00 1 1 6XRQ 1.0
_exptl.absorpt_correction_T_min 0.000 1 1.00 1 1 6XRQ 0.949905760669
_exptl.absorpt_correction_type 0.000 1 1.00 1 1 6XRQ empirical
_exptl.absorpt_process_details 0.000 1 1.00 1 1 6XRQ CCP4 7.0.075: AIMLESS, version 0.7.4 : 13/12/18⏎Scaling & analysis of unmerged intensities, absorption correction using spherical harmonics
_exptl.crystals_number 77.872 1 1.00 2 176047 9DUE {1 - 1.02987e+06} /144 171866 9DUE 1 2610 8UCY 2
_exptl.details 0.288 1 1.00 1 139 6Z1S {text} 506 8E0G {line} 6 2MJW {word} /637 3 2LZI Head-to-tail (Arg-Gly) cyclic peptide
_exptl.entry_id 100.000 1 1.00 3 225445 9GYO {word} 741 8E99 {1 - 8e+99}
_exptl.method 100.000 1 1.00 3 188438 9DUE X-RAY DIFFRACTION 22646 9GYO ELECTRON MICROSCOPY 14287 9GWD SOLUTION NMR 240 9DKZ ELECTRON CRYSTALLOGRAPHY 230 9BPE NEUTRON DIFFRACTION 180 8RVT SOLID-STATE NMR 85 8S65 SOLUTION SCATTERING 39 3PDM FIBER DIFFRACTION 21 7QAC POWDER DIFFRACTION 8 4J80 EPR 7 2BVK THEORETICAL MODEL 4 1SSZ INFRARED SPECTROSCOPY 1 1RMN FLUORESCENCE TRANSFER
_exptl.method_details 0.001 1 1.00 1 1 2K0P Solid-state structure of Beta-1 Immunoglobulin binding domain of protein G (GB1) solved from Ha, Ca, Cb, and N backbone chemical shifts. 1 5L2D The structure of CshA-NR2 was initially determined in space group P6222, with two molecules in the asymmetric unit, to 3.5 A resolution by the single wavelength anomalous dispersion (SAD) method as applied to selonomethionine (SeMet) labeled crystals of dimeric CshA-NR2. Identification of heavy atom sites and the resulting initial phase calculation was carried out, employing diffraction data collected from two different crystals of SeMet labeled dimeric CshA-NR2, which were merged together. The software located 18 Se sites. The output model was refined and used as a molecular replacement search model to elucidate a higher resolution CshA-NR2 structure (2.7 A), employing diffraction data collected from a crystal of unlabeled CshA-NR2 (also in space group P6222).
_exptl_crystal.colour 0.005 1 1.00 1 7 4TOH Red Prism 2 6DA7 clear 1 4TOG Red prism 1 6DA9 yellow
_exptl_crystal.density_Matthews 82.653 1 1.00 6 186851 9DUE {0 - 45.14}
_exptl_crystal.density_meas 0.071 1 1.00 1 161 9J4J {0.0003158 - 2.5728e+06} /131 8 6P7U 1.35
_exptl_crystal.density_percent_sol 82.644 1 1.00 6 186831 9DUE {0 - 96.06}
_exptl_crystal.description 8.339 1 1.00 3 714 8RPX {text} 5496 9JFN {line} 12643 9G11 {word} 8 8QQE {0 - 64.94}
_exptl_crystal.id 84.981 1 1.00 21 3 8EPK {word} 192619 9DUE {1 - 265735} /25 192010 9DUE 1 498 9CM8 2
_exptl_crystal.pdbx_mosaicity 2.820 1 1.00 1 6372 8UN3 {0 - 20.715}
_exptl_crystal.pdbx_mosaicity_esd 0.067 1 1.00 1 151 8EVK {0.002 - 15.975} /26 23 7V8R 0.004 21 6LJ7 0.003 16 6WEF 0.008 13 5ZIO 0.002 12 7S49 0.006 10 6LJ8 0.005 10 7V8O 0.007 8 6LJ1 0.010 6 8EVK 0.012
_exptl_crystal.preparation 0.010 1 1.00 1 5 6CLB electron diffraction 1 5ZF6 2011-06-07 1 5LEV EXPERIMENTAL DATA STATISTICS REPORTED ARE THOSE PRIOR TO ANISOTROPIC DATA TRUNCATION WITH STARANISO 1 5N35 FOR ANALYSIS, PLEASE, USE THE NATIVE HIGH-RESOLUTION 1.35 Ang STRUCTURE: PDB 5N41 1 5TDQ The low data completeness is due to the data being severely anisotropic, and the data was processed using the diffraction anisotropy server (https://services.mbi.ucla.edu/anisoscale/). Data was truncated and scaled with dimensions a*b*c*- 3.2,3.1,2.5. This is the reason for the low completeness in the resolution shells from 3.1 to 2.5. This processing was the only way to generate maps of high enough quality for model building 1 5Y27 The Solvent content/Matthews coefficient are the deposited values. Because the residues of A 107-240 had been degraded in the crystal. 1 5CW0 Matthews' Coefficient and solvent content calculated with the disordered RNA taken into account 1 6AR7 For the anomalous data set, two 360-degree scans were merged to solve the structure at 2.5 Angstrom resolution, while the structure was refined against the first 360-degree scan at 2.1 Angstrom resolution. 1 5GRQ THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS. 1 1WSB mounted in loop 1 5NJX The completeness of our data is low to 2.49A resolution being 62% overall and 2.5% in the highest resolution shell since we kept only the strongest reflections in each direction. This is the purpose of the diffraction anisotropy server (https://services.mbi.ucla.edu/anisoscale/) and also staraniso (http://staraniso.globalphasing.org/cgi-bin/staraniso.cgi). We used the diffraction anisotropy server to keep the good reflections only for structure refinement 1 2YX4 THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS. 1 6E18 The sample used for crystallization was a complex of Chlamydomonas reinhardtii HAP2 ectodomain with an antibody fragment scFv. However we could not reveal the presence of the scFv in our electron density maps. There are two possible explanations: 1) The bound scFv was displaced due to crystallization conditions/packing or 2) The scFv is still bound but disordered because is interacting with one of the disordered loops located in the large solvent volumes between the protomers. In this last case, it is expected that the solvent content of the crystal would be lower than the one currently reported 1 6EJS SAD phase problem was solved with the data collected at 1.9 A wavelength, while the presented structure is refined against the 0.9184 A dataset 1 6ONU The protein was degraded in the crystal, resulting in a discrepancy between the Matthews coefficient and the reported protein sequence. 1 6P5G 5.33 microseconds collected at 30ps time delay 1 5CVZ Matthews' coeficient and solvent content include correction for disordered RNA 1 4TR9 Data completeness is 61.1% due to the geometry of the detector used 1 2Q8W Mounted directly from mother liquor onto nylon cryo loop. Flash-cooled to 100K in nitrogen gas stream
_exptl_crystal_grow.crystal_id 80.191 1 1.00 21 3 8EPK {word} 181675 9DUE {1 - 21} /24 181172 9DUE 1 397 9CM8 2
_exptl_crystal_grow.details 0.004 1 1.00 1 1 5EBI A 1.5 MM WATER SOLUTION OF DNA-RNA MIXED 1:1 V/V WITH 10% MPD, 12 MM SPERMINE*4HCL, 80 MM NACL, 20 MM BACL2, 40 MM SODIUM CACODYLATE AND EQUILIBRATED AGAINST 35% MPD, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292.0K 1 5NQB crystals were cryoprotected by washing in reservoir supplemented with 20% w/v PEG400 and 2.5 mM oxaloacetate before freezing in liquid nitrogen. 1 6G21 CRYSTALS SOAKED IN 5mM KPTCL4 1 5ZO0 The crystal was then sealed in a capillary with the D2O exchanged solution (2% PEG 3350, 0.2M NaI, 0.1M NaAc, pD5.4) for pH equilibration for two weeks before data collection (pD = pH + 0.4) 1 6GRY Sitting drops of 0.3 ul were mixed in a protein:reservoir volume ratio of 3:1 using 20 mg/mL of SuCE15C in 20 mM TRIS pH 8.0 1 6QFD The complex crystallized from a buffer containing 20 mM HEPES, pH 7, 2 M KCl and 0.02% azide.⏎Crystals grown with S4 (DNA/hsRosR ratio = 1.45) appeared after 3 days in wells containing 2.94 M (NH4)2SO4, 40 mM MnCl2 and 0.02% azide. 1 5V85 THIS IS UNALTERED ORIGINAL DATA FROM ENTRY 3JR7 1 7YQS 8.5(pD) 1 8C58 Since the pH of the crystallization drop (reservoir buffer pH 5.6) was close to the pK for the HCO3-/CO32-+H+ equilibrium (pKa=6.1), a mixture of carbonate and hydrogencarbonate is likely present in the crystal.
_exptl_crystal_grow.method 71.606 1 1.00 21 1 1WTM {text} 157091 9DUE {line} 5175 9JHV {word} 1 1K4H {8.5 - 8.5} /539 80145 9DUE VAPOR DIFFUSION, HANGING DROP 61584 9DTL VAPOR DIFFUSION, SITTING DROP 9753 9GSQ VAPOR DIFFUSION 2187 9IY2 EVAPORATION
_exptl_crystal_grow.pH 62.534 1 1.00 21 141690 9DTC {0 - 12} /511 19396 9DQW 7.5 17395 9DQM 6.5 11194 9DTC 8.5 10885 9JFN 7.0 7195 9CYM 8.0 6472 9DDY 5.5
_exptl_crystal_grow.pdbx_details 80.153 1 1.00 21 35787 9DUE {text} 145206 9DP4 {line} 590 9FOY {word} 6 7UP1 {0.2 - 291}
_exptl_crystal_grow.pdbx_pH_range 3.230 1 1.00 6 1243 9GEA {line} 4141 9CUO {word} 1928 9G48 {0.05 - 293}
_exptl_crystal_grow.pressure 0.008 1 1.00 1 17 8BS2 101.325
_exptl_crystal_grow.seeding 0.004 1 1.00 1 10 5SAT seeds obtained from crystals of same condition using 24-33% PEG 4000, diluted to 1:15 -1:45
_exptl_crystal_grow.temp 71.664 1 1.00 21 162384 9DUE {100 - 328} /256 49192 9GP2 293 24116 9J9K 298 19021 9GSQ 277 14846 9DTC 291 9054 9DP4 295 6709 9GPJ 289
_exptl_crystal_grow.temp_details 0.849 1 1.00 2 3 7O46 {text} 1536 9D77 {line} 315 8VCN {word} 66 8XFY {2 - 303} /412 234 9BYJ room temperature 184 9BMK Room temperature 155 8TDT temperature gradient generated from 60 to 25 C at 0.3 degrees per hour 111 8SL5 338-293 at 0.4/hr 96 7LBC ROOM TEMPERATURE 74 8V5T Room Temperature
_exptl_crystal_grow_comp.conc 0.022 1 5.08 11 14 3POZ {line} 54 3POZ {word} 181 1O3Q {2 - 32} /35 34 1O3Q 2 27 1O3Q 8 27 1O3Q 5 25 1O3Q 11 25 1O3Q 14 19 1O3Q 17 14 1O3Q 20 14 1O69 10mM 11 3IGI 150mM
_exptl_crystal_grow_comp.crystal_id 1.220 1 6.67 20 18357 3QSU 1 44 2QBZ 2
_exptl_crystal_grow_comp.details 0.015 1 5.32 11 34 1O3Q 3 27 1O3Q 9 27 1O3Q 6 25 1O3Q 15 25 1O3Q 12 19 1O3Q 18 14 1O3Q 21 3 1VTO 30 3 1VTO 24 3 1VTO 27 1 1VTN 33
_exptl_crystal_grow_comp.id 1.220 1 6.67 20 3 1ZDR {line} 18398 3QSU {1 - 21} /23 2756 3QSU 1 2716 3QSU 2 2621 3QSU 3 2459 3QSU 4 2134 3QSU 5 1845 3QSU 6 1338 3QSU 7 996 3QSU 8 587 3Q5F 9
_exptl_crystal_grow_comp.name 1.220 1 6.67 20 1 355D {text} 6377 3QEB {line} 12021 3QSU {word}
_exptl_crystal_grow_comp.sol_id 1.219 1 6.67 20 11131 3QSU 1 7111 3QSU 2 119 3IGI 3 1 336D 4 1 1XT6 solution
_exptl_crystal_grow_comp.volume 0.015 1 5.20 11 34 1O3Q 1 27 1O3Q 7 27 1O3Q 4 25 1O3Q 10 25 1O3Q 13 19 1O3Q 16 14 1O3Q 19 3 1VTO 28 3 1VTO 25 3 1VTO 22 1 1VTN 31 1 2IS4 Fluoride'?
_ndb_struct_conf_na.entry_id 7.415 1 3.40 14 56603 9DR1 {word} 311 8E95 {3 - 8e+95}
_ndb_struct_conf_na.feature 7.415 1 3.40 14 14203 9DR1 double helix 9509 9DR1 b-form double helix 8242 9DR1 a-form double helix 4685 9DR1 mismatched base pair 2883 9GMO hairpin loop 2595 9GMO bulge loop 2489 9GMO internal loop 2292 9GMO triple helix 2055 9CG7 quadruple helix 1914 9GMO tetraloop 1846 9GMO three-way junction 1690 9GMO four-way junction 1586 9GMO parallel strands 925 9CAI z-form double helix
_ndb_struct_na_base_pair.buckle 7.358 1 242.27 7214 4027709 9DR1 {-64.991 - 64.918}
_ndb_struct_na_base_pair.hbond_type_12 7.317 1 225.67 7202 3150228 9DR1 1 136814 9GMO 4 127887 9GMO 10 75647 9GMO 2 56476 9DN4 6 55253 9GMO 9 48837 9DR1 5 43191 9GMO 3 22674 9GMO 8 5706 9GMO 7 5705 9GMO 12 2283 9CG7 11
_ndb_struct_na_base_pair.hbond_type_28 7.300 1 209.36 7202 3453388 9DR1 {1 - 29} /29 1846264 9DR1 19 764143 9DR1 20 294756 9DN4 28 166435 9GMO 11
_ndb_struct_na_base_pair.i_PDB_ins_code 0.209 1 33.35 161 15741 9BDN {word} /24 4855 9BDN A 1707 9BDN B 1360 9B00 C 1343 9B00 D 1324 9B00 E 883 9B00 H 864 9B00 I 799 9B00 F 754 9B00 J
_ndb_struct_na_base_pair.i_auth_asym_id 7.358 1 242.27 7214 3120034 9DR1 {word} 907675 9FQ0 {0 - 222} /778 605935 9DR1 A 262637 9FQ0 1 195099 9CG7 a
_ndb_struct_na_base_pair.i_auth_seq_id 7.358 1 242.27 7214 4027709 9DR1 {-312 - 8182}
_ndb_struct_na_base_pair.i_label_asym_id 7.358 1 242.27 7214 4027709 9DR1 {word} /287 1198574 9DR1 A 217065 9DR1 B 113361 9DP4 C
_ndb_struct_na_base_pair.i_label_comp_id 7.358 1 242.27 7214 4027700 9DR1 {word} 9 1Y86 {125 - 127} /325 1308784 9DN4 G 973528 9DN4 C 736236 9DR1 A 673167 9DN4 U 83928 9DR1 DC
_ndb_struct_na_base_pair.i_label_seq_id 7.358 1 242.27 7214 4027709 9DR1 {1 - 7249}
_ndb_struct_na_base_pair.i_symmetry 7.358 1 242.27 7214 4027709 9DR1 {word} /30 4027426 9DR1 1_555 55 8TLL 2_556
_ndb_struct_na_base_pair.j_PDB_ins_code 0.213 1 33.95 163 16365 9BDP {word} /26 3494 9BDP A 1650 9BDP B 1154 9B00 C 1036 9B00 D 732 9B00 T
_ndb_struct_na_base_pair.j_auth_asym_id 7.358 1 242.27 7214 3120280 9DR1 {word} 907429 9FQ0 {0 - 333} /920 574382 9GMO A 256119 9FQ0 1 194636 9CG7 a
_ndb_struct_na_base_pair.j_auth_seq_id 7.358 1 242.27 7214 4027709 9DR1 {-622 - 9274}
_ndb_struct_na_base_pair.j_label_asym_id 7.358 1 242.27 7214 4027709 9DR1 {word} /346 1112669 9GMO A 241835 9DR1 B 120128 9GMO C
_ndb_struct_na_base_pair.j_label_comp_id 7.358 1 242.27 7214 4027700 9DR1 {word} 9 1Y86 {125 - 127} /321 1272662 9DR1 G 988210 9DN4 C 734780 9DR1 A 691064 9DR1 U 86762 9DR1 DG
_ndb_struct_na_base_pair.j_label_seq_id 7.358 1 242.27 7214 4027709 9DR1 {1 - 6135}
_ndb_struct_na_base_pair.j_symmetry 7.358 1 242.27 7214 4027709 9DR1 {word} /129 4020688 9DR1 1_555 788 8TDZ 4_555
_ndb_struct_na_base_pair.model_number 7.358 1 242.27 7214 4027709 9DR1 1
_ndb_struct_na_base_pair.opening 7.358 1 242.27 7214 4027709 9DR1 {-180 - 180}
_ndb_struct_na_base_pair.pair_name 7.358 1 242.27 7214 4027709 9DR1 {word}
_ndb_struct_na_base_pair.pair_number 7.358 1 242.27 7214 4027709 9DR1 {1 - 7214}
_ndb_struct_na_base_pair.propeller 7.358 1 242.27 7214 4027709 9DR1 {-64.973 - 64.964}
_ndb_struct_na_base_pair.shear 7.358 1 242.27 7214 4027709 9DR1 {-27.261 - 27.261}
_ndb_struct_na_base_pair.stagger 7.358 1 242.27 7214 4027709 9DR1 {-58.597 - 60.718}
_ndb_struct_na_base_pair.stretch 7.358 1 242.27 7214 4027709 9DR1 {-17.881 - 17.881}
_ndb_struct_na_base_pair_step.helical_rise 7.288 1 217.02 7117 3573657 9DR1 {-22.056 - 9.67}
_ndb_struct_na_base_pair_step.helical_twist 7.288 1 217.02 7117 3573657 9DR1 {-180 - 180}
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 0.195 1 30.65 136 13486 9BDN {word} /24 3946 9BDN A 1368 9BDN B 1297 9B00 D 1293 9B00 C 1187 9B00 E 824 9B00 H 744 9B00 I 669 9B00 F
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 0.204 1 30.47 148 14077 9BDN {word} /24 3944 9BDN A 1420 9BDN B 1307 9B00 E 1273 9B00 D 1107 9B00 C 864 9B00 H 839 9B00 I 782 9B00 F 744 9B00 J 652 9B00 G
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 7.288 1 217.02 7117 2774945 9DR1 {word} 798712 9FQ0 {0 - 222} /775 535222 9DR1 A 232197 9FQ0 1 174095 9CG7 a
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 7.288 1 217.02 7117 2775010 9DR1 {word} 798647 9FQ0 {0 - 222} /776 534866 9DR1 A 232031 9FQ0 1 174125 9CG7 a
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 7.288 1 217.02 7117 3573657 9DR1 {-312 - 8181}
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 7.288 1 217.02 7117 3573657 9DR1 {-311 - 8182}
_ndb_struct_na_base_pair_step.i_label_asym_id_1 7.288 1 217.02 7117 3573657 9DR1 {word} /286 1059541 9DR1 A 192624 9DR1 B 101444 9DP4 C
_ndb_struct_na_base_pair_step.i_label_asym_id_2 7.288 1 217.02 7117 3573657 9DR1 {word} /287 1058638 9DR1 A 192602 9DR1 B 101588 9DP4 C
_ndb_struct_na_base_pair_step.i_label_comp_id_1 7.288 1 217.02 7117 3573648 9DR1 {word} 9 1Y86 {125 - 127} /309 1155815 9DN4 G 860199 9DN4 C 666058 9DLL A 577311 9DN4 U 78068 9DR1 DC
_ndb_struct_na_base_pair_step.i_label_comp_id_2 7.288 1 217.02 7117 3573648 9DR1 {word} 9 1Y86 {125 - 127} /312 1155766 9DN4 G 897373 9DN4 C 606175 9DN4 U 600629 9DN4 A 78350 9DR1 DC
_ndb_struct_na_base_pair_step.i_label_seq_id_1 7.288 1 217.02 7117 3573657 9DR1 {1 - 7249}
_ndb_struct_na_base_pair_step.i_label_seq_id_2 7.288 1 217.02 7117 3573657 9DR1 {1 - 7249}
_ndb_struct_na_base_pair_step.i_symmetry_1 7.288 1 217.02 7117 3573657 9DR1 {word} /27 3573437 9DR1 1_555 44 8TLL 2_556
_ndb_struct_na_base_pair_step.i_symmetry_2 7.288 1 217.02 7117 3573657 9DR1 {word} /27 3573435 9DR1 1_555 44 8TLL 2_556
_ndb_struct_na_base_pair_step.inclination 7.288 1 217.02 7117 3573657 9DR1 {-89.997 - 153.584}
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 0.205 1 28.70 136 13319 9BDP {word} /26 2166 9BDP A 1465 9BDP B 1088 9B00 C 944 9B00 D 655 9B00 E
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 0.210 1 30.31 148 14399 9BDP {word} /26 3229 9BDP A 1599 9BDP B 1053 9B00 C 753 9B00 D 674 9B00 E
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 7.288 1 217.02 7117 2775112 9DR1 {word} 798545 9FQ0 {0 - 333} /918 507057 9GMO A 226294 9FQ0 1 173722 9CG7 a
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 7.288 1 217.02 7117 2775170 9DR1 {word} 798487 9FQ0 {0 - 333} /916 506831 9GMO A 226203 9FQ0 1 173714 9CG7 a
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 7.288 1 217.02 7117 3573657 9DR1 {-621 - 9271}
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 7.288 1 217.02 7117 3573657 9DR1 {-622 - 9274}
_ndb_struct_na_base_pair_step.j_label_asym_id_1 7.288 1 217.02 7117 3573657 9DR1 {word} /346 980886 9GMO A 215658 9DR1 B 107308 9GMO C
_ndb_struct_na_base_pair_step.j_label_asym_id_2 7.288 1 217.02 7117 3573657 9DR1 {word} /346 980254 9GMO A 215756 9DR1 B 107155 9GMO C
_ndb_struct_na_base_pair_step.j_label_comp_id_1 7.288 1 217.02 7117 3573648 9DR1 {word} 9 1Y86 {125 - 127} /292 1133201 9DR1 G 903285 9DN4 C 633140 9DR1 U 585145 9DR1 A 80234 9DR1 DG
_ndb_struct_na_base_pair_step.j_label_comp_id_2 7.288 1 217.02 7117 3573648 9DR1 {word} 9 1Y86 {125 - 127} /295 1151424 9DR1 G 875365 9DN4 C 636496 9DR1 A 591401 9DR1 U 80630 9DR1 DG
_ndb_struct_na_base_pair_step.j_label_seq_id_1 7.288 1 217.02 7117 3573657 9DR1 {1 - 6135}
_ndb_struct_na_base_pair_step.j_label_seq_id_2 7.288 1 217.02 7117 3573657 9DR1 {1 - 6134}
_ndb_struct_na_base_pair_step.j_symmetry_1 7.288 1 217.02 7117 3573657 9DR1 {word} /122 3567412 9DR1 1_555 729 8TDZ 4_555
_ndb_struct_na_base_pair_step.j_symmetry_2 7.288 1 217.02 7117 3573657 9DR1 {word} /123 3567415 9DR1 1_555 729 8TDZ 4_555
_ndb_struct_na_base_pair_step.model_number 7.288 1 217.02 7117 3573657 9DR1 1
_ndb_struct_na_base_pair_step.rise 7.288 1 217.02 7117 3573657 9DR1 {-10.239 - 9.901}
_ndb_struct_na_base_pair_step.roll 7.288 1 217.02 7117 3573657 9DR1 {-179.744 - 179.441}
_ndb_struct_na_base_pair_step.shift 7.288 1 217.02 7117 3573657 9DR1 {-22.453 - 22.633}
_ndb_struct_na_base_pair_step.slide 7.288 1 217.02 7117 3573657 9DR1 {-28.166 - 23.295}
_ndb_struct_na_base_pair_step.step_name 7.288 1 217.02 7117 3573657 9DR1 {word}
_ndb_struct_na_base_pair_step.step_number 7.288 1 217.02 7117 3573657 9DR1 {1 - 7117}
_ndb_struct_na_base_pair_step.tilt 7.288 1 217.02 7117 3573657 9DR1 {-179.999 - 179.789}
_ndb_struct_na_base_pair_step.tip 7.288 1 217.02 7117 3573657 9DR1 {-90 - 91.064}
_ndb_struct_na_base_pair_step.twist 7.288 1 217.02 7117 3573657 9DR1 {-180 - 180}
_ndb_struct_na_base_pair_step.x_displacement 7.288 1 217.02 7117 3573657 9DR1 {-1011.34 - 292.056}
_ndb_struct_na_base_pair_step.y_displacement 7.288 1 217.02 7117 3573657 9DR1 {-262.539 - 656.109}
_pdbx_SG_project.full_name_of_center 7.030 1 1.02 3 16253 9DTL {line} /53 2750 8KCQ RIKEN Structural Genomics/Proteomics Initiative 2030 9GLE Structural Genomics Consortium 1959 8EBG Midwest Center for Structural Genomics 1764 9DTC Seattle Structural Genomics Center for Infectious Disease 1602 2NBB Joint Center for Structural Genomics 1528 9BJ0 Center for Structural Genomics of Infectious Diseases 1236 7TZD Northeast Structural Genomics Consortium 1041 4Q9T New York SGX Research Center for Structural Genomics 364 6XK0 New York Structural Genomics Research Consortium
_pdbx_SG_project.id 7.205 1 1.02 3 16278 9DTL 1 371 9BJ0 2 16 4ZGG 3
_pdbx_SG_project.initial_of_center 7.032 1 1.02 3 16258 9DTL {word} /53 2750 8KCQ RSGI 2030 9GLE SGC 1959 8EBG MCSG 1764 9DTC SSGCID 1602 2NBB JCSG 1528 9BJ0 CSGID 1236 7TZD NESG 1042 4Q9T NYSGXRC 364 6XK0 NYSGRC
_pdbx_SG_project.project_name 5.259 1 1.03 3 5209 9BHS PSI, Protein Structure Initiative 2326 9DTL NIAID, National Institute of Allergy and Infectious Diseases 2280 9BKS PSI:Biology 2030 6KZA NPPSFA, National Project on Protein Structural and Functional Analyses 362 7CSM Enzyme Function Initiative
_pdbx_audit_conform.dict_location 0.000 1 1.00 1 1 8BWH https://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic
_pdbx_audit_conform.dict_name 0.000 1 1.00 1 1 8BWH mmcif_pdbx.dic
_pdbx_audit_conform.dict_version 0.000 1 1.00 1 1 8BWH 5.363
_pdbx_audit_revision_category.category 91.759 1 7.30 94 1514278 9JHV {word} /231 180796 9CF3 chem_comp_atom 180783 9CEZ chem_comp_bond 162806 8ZL9 database_2 115286 9B3P pdbx_initial_refinement_model 90326 9JBQ citation 75881 7MYA struct_site 74561 9FW2 struct_conn
_pdbx_audit_revision_category.data_content_type 91.759 1 7.30 94 1514278 9JHV Structure model
_pdbx_audit_revision_category.ordinal 91.759 1 7.30 94 1514278 9JHV {1 - 94} /94 207325 9JHV 1 202196 9JHV 2 193640 9J9A 3 178295 9J2N 4 156942 9GD3 5 127288 9FW2 6 94420 9FW2 7 67473 9FW2 8
_pdbx_audit_revision_category.revision_ordinal 91.759 1 7.30 94 462631 9CES 4 415868 9J9A 3 315992 9JHV 2 223028 9B5X 5 71116 9B5X 6 19207 8CMJ 7 4828 8CMJ 8 1233 8CG8 9 276 7ENP 10 62 6LU7 11 27 6LU7 12 7 6LU7 14 2 6LU7 13 1 6LU7 15
_pdbx_audit_revision_details.data_content_type 100.000 1 1.07 3 241059 9GYO Structure model
_pdbx_audit_revision_details.description 6.538 1 1.00 2 14078 6XRA Carbohydrate remediation 166 9CF1 Model completeness 86 8XE9 Sequence discrepancy 82 8UHA Model orientation/position 81 8XO9 Ligand geometry 80 8PJM Ligand identity 66 8S61 Atomic clashes 63 8GHA Polymer geometry 49 8Y14 Atoms with unrealistic or zero occupancies 30 8QYA Chirality error 19 8QYB Real space R-factor 14 8UI0 Polymer backbone linkage 7 8CMM Occupancy of atoms on special symmetry positions 6 8EHH Missing anisotropic B-factor
_pdbx_audit_revision_details.details 0.315 1 1.01 2 119 8XO9 {text} 602 8VY9 {line} /364 96 2ID9 Coordinates and associated ncs operations (if present) transformed into standard crystal frame 96 3P0S Coordinates and associated matrices have been transformed from the icosahedral point symmetry frame to the crystallographic frame 70 255L ORTHOGONAL X,Y,Z AXES WERE REALIGNED FROM A*,B,C TO A,B*,C CRYSTALLOGRAPHIC DIRECTIONS 15 8PF8 Changes as suggested during the review process of article submission
_pdbx_audit_revision_details.ordinal 100.000 1 1.07 3 225946 9GYO 1 15049 9CF1 2 64 8AVN 3
_pdbx_audit_revision_details.provider 100.000 1 1.07 3 240300 9GYO repository 759 9CF1 author
_pdbx_audit_revision_details.revision_ordinal 100.000 1 1.07 3 225943 9GYO 1 5226 8IRI 4 4114 8VY9 3 2542 8STG 5 2240 9CF1 2 709 7NS3 6 205 6ZP2 7 59 6ZOZ 8 15 6Y2G 9 4 3ZYH 10 2 6LU7 12
_pdbx_audit_revision_details.type 100.000 1 1.07 3 225943 9GYO Initial release 14357 6XRA Remediation 759 9CF1 Coordinate replacement
_pdbx_audit_revision_group.data_content_type 94.509 1 5.45 38 1163424 9JHV Structure model
_pdbx_audit_revision_group.group 94.509 1 5.45 38 309848 9JBQ Database references 254645 9J2N Data collection 147916 9CF3 Refinement description 134338 9FW2 Derived calculations 118296 9CF1 Version format compliance 57751 9JHV Structure summary 37735 9CF3 Other 25342 9GAW Advisory 22213 9CF3 Author supporting evidence 19663 9FW2 Atomic model 16046 9FW2 Source and taxonomy 11575 9CF3 Non-polymer description 5477 9CF3 Experimental preparation 2363 9FW2 Polymer sequence 216 9CF3 Data processing
_pdbx_audit_revision_group.ordinal 94.509 1 5.45 38 1163424 9JHV {1 - 38} /38 213539 9JHV 1 201643 9J9A 2 180994 9J2N 3 156714 9GD3 4 127124 9FW2 5 92555 9FW2 6 60825 9FW2 7 40200 9FW2 8
_pdbx_audit_revision_group.revision_ordinal 94.509 1 5.45 38 344011 9J9A 3 330202 9JHV 2 292069 9CES 4 137095 9B5X 5 44237 9B5X 6 11911 8CMJ 7 2923 8CMJ 8 745 8CG8 9 167 7ENP 10 42 6LU7 11 16 6LU7 12 4 6LU7 14 1 6LU7 15 1 6LU7 13
_pdbx_audit_revision_history.data_content_type 100.000 1 3.55 15 802961 9GYO Structure model
_pdbx_audit_revision_history.major_revision 100.000 1 3.55 15 768815 9GYO 1 31867 9FW2 2 2099 8QPC 3 152 8GJV 4 24 6ZSG 5 4 6TME 6
_pdbx_audit_revision_history.minor_revision 100.000 1 3.55 15 244736 9GYO 0 222502 9JHV 1 168229 9J9A 2 103147 9CBS 3 46510 9B5X 4 13621 9B5X 5 3326 8CMJ 6 701 8CMJ 7 151 8CG8 8 32 7ENP 9 5 5UJA 10 1 5UJA 11
_pdbx_audit_revision_history.ordinal 100.000 1 3.55 15 225946 9GYO 1 213539 9JHV 2 172772 9J9A 3 112764 9CES 4 54206 9B5X 5 17501 9B5X 6 4711 8CMJ 7 1150 8CMJ 8 286 8CG8 9 65 7ENP 10 14 6LU7 11 4 6LU7 12 1 6LU7 14 1 6LU7 15 1 6LU7 13
_pdbx_audit_revision_history.revision_date 100.000 1 3.55 15 802961 9GYO {word}
_pdbx_audit_revision_item.data_content_type 88.140 1 14.81 237 2949191 9JHV Structure model
_pdbx_audit_revision_item.item 88.140 1 14.81 237 2949191 9JHV {word}
_pdbx_audit_revision_item.ordinal 88.140 1 14.81 237 2949191 9JHV {1 - 237} /237 199148 9JHV 1 195405 9JBQ 2 179918 9JBQ 3 164539 9JBQ 4 153259 9JBQ 5 138628 9JBQ 6
_pdbx_audit_revision_item.revision_ordinal 88.140 1 14.81 237 913103 9CES 4 758745 9J9A 3 706656 9JHV 2 408028 9B5X 5 121521 9B5X 6 30503 8CMJ 7 7973 8CMJ 8 1937 8CG8 9 592 7ENP 10 83 6LU7 11 41 6LU7 12 7 6LU7 14 2 6LU7 13
_pdbx_audit_support.country 33.629 1 1.81 25 5 7CQE {text} 71737 9DUE {line} 66065 9JSX {word} /82 50875 9DUE United States 16967 9J6I China 13445 9GP8 United Kingdom 9110 9JSX Japan 8215 9GRP Germany 3784 9JSX France
_pdbx_audit_support.funding_organization 36.103 1 1.78 25 191 9IHS {text} 142515 9GYO {line} 2561 9GBK {word} 1 6RD6 {1 - 1}
_pdbx_audit_support.grant_number 27.340 1 1.93 22 73 8RON {text} 18738 9DR1 {line} 81010 9DUE {word} 19591 9GG6 {0 - 2.0192e+116}
_pdbx_audit_support.ordinal 36.426 1 1.78 25 146425 9GYO {1 - 25} /25 82302 9GYO 1 30166 9JSX 2 15173 9DLL 3 7781 9DKZ 4 4327 9DKZ 5
_pdbx_branch_scheme.asym_id 5.520 2 13.52 1348 168617 9D77 {word} /364 15012 9D77 C 14260 9D77 D 11842 9D77 B 11260 9J4K E 10013 9J4K F 8836 9J4K G 7727 9J4K H
_pdbx_branch_scheme.auth_asym_id 5.259 1 13.87 1348 163796 9D77 {word} 979 9C7V {0 - 10} /552 45114 9D77 A 29407 9IT8 B 23265 9IU1 C 10899 9J4I D 9361 9J4I E 7393 9J4I G
_pdbx_branch_scheme.auth_mon_id 5.520 2 13.52 1348 168595 9D77 {word} 22 7PRB {45 - 208} /631 94794 9D77 NAG 24071 9D77 MAN 14379 9D77 BMA 4672 9D77 FUC
_pdbx_branch_scheme.auth_seq_num 5.520 2 13.52 1348 168617 9D77 {-99999 - 9909}
_pdbx_branch_scheme.entity_id 5.520 2 13.52 1348 168617 9D77 {1 - 61} /26 56678 9D77 2 35491 9D77 3 25961 9J4J 4 16727 9IU1 5 11250 9CKV 6 7332 9CK8 7
_pdbx_branch_scheme.hetero 5.520 2 13.52 1348 168537 9D77 n 80 8QMJ y
_pdbx_branch_scheme.mon_id 5.520 2 13.52 1348 168617 9D77 {word} /357 95285 9D77 NAG 23200 9D77 MAN 15566 9D77 BMA 8356 9J4K GLC
_pdbx_branch_scheme.num 5.520 2 13.52 1348 168617 9D77 {1 - 36} /36 57175 9D77 1 57138 9D77 2 23219 9D77 3 12215 9D77 4 8176 9D77 5
_pdbx_branch_scheme.pdb_asym_id 5.520 2 13.52 1348 167093 9D77 {word} 1524 9ETU {0 - 9} /564 15860 9D77 C 14041 9D77 D 12924 9D77 B 11366 9J4K E 10371 9J4K F 8796 9J4K G 6862 9J4K H
_pdbx_branch_scheme.pdb_mon_id 5.520 2 13.52 1348 168617 9D77 {word} /357 95285 9D77 NAG 23200 9D77 MAN 15566 9D77 BMA 8356 9J4K GLC
_pdbx_branch_scheme.pdb_seq_num 5.520 2 13.52 1348 168617 9D77 {1 - 36} /36 57174 9D77 1 57137 9D77 2 23221 9D77 3 12215 9D77 4 8176 9D77 5
_pdbx_buffer.details 0.000 1 1.00 1 1 2A31 200mM (Na+) Borate pH 10.6
_pdbx_buffer.id 0.001 1 1.00 1 3 2Q8W 1
_pdbx_buffer.name 0.001 1 1.00 1 1 1WSB Ammonium Sulphate 1 2A31 Borate 1 2Q8W Sample Lyophilization Buffer
_pdbx_buffer_components.buffer_id 0.001 1 1.00 1 3 2Q8W 1
_pdbx_buffer_components.conc 0.001 1 1.00 1 1 1WSB 3.2 1 2A31 200 1 2Q8W 1000
_pdbx_buffer_components.conc_units 0.001 1 1.00 1 2 2Q8W mM 1 1WSB M
_pdbx_buffer_components.details 0.000 1 1.00 1 1 2A31 pH 10.6
_pdbx_buffer_components.id 0.001 1 1.00 1 3 2Q8W 1
_pdbx_buffer_components.name 0.001 1 1.00 1 1 1WSB Ammonium Sulphate 1 2A31 Borate 1 2Q8W Sodium chloride
_pdbx_chem_comp_identifier.comp_id 8.819 1 6.72 44 133823 9DT7 {word} 15 6SEC {145 - 289} /303 52884 9D77 NAG 17336 9D77 BMA 15468 9D77 MAN 8284 9J4K GLC 8180 9D77 FUC 6264 9INT GAL
_pdbx_chem_comp_identifier.identifier 8.819 1 6.72 44 4 2QNB {text} 970 9CUZ {line} 132864 9DT7 {word} /645 13623 9D77 GlcNAc 13221 9D77 DGlcpNAcb 13221 9D77 N-acetyl-b-D-glucopyranosamine 13221 9D77 b-D-GlcpNAc 8201 9D77 Man 4334 9D77 b-D-Manp
_pdbx_chem_comp_identifier.program 8.819 1 6.72 44 98745 9J9A GMML 35093 9DT7 PDB-CARE
_pdbx_chem_comp_identifier.program_version 8.819 1 6.72 44 133838 9DT7 1.0
_pdbx_chem_comp_identifier.type 8.819 1 6.72 44 35093 9DT7 IUPAC CARBOHYDRATE SYMBOL 33091 9J9A CONDENSED IUPAC CARBOHYDRATE SYMBOL 33009 9J9A COMMON NAME 32645 9J9A SNFG CARBOHYDRATE SYMBOL
_pdbx_contact_author.email 16.257 1 1.15 8 42187 9GYO {word}
_pdbx_contact_author.id 16.257 1 1.15 8 25154 9GYO 2 8952 9DTC 3 3368 9DTC 4 2820 9CUX 1 1242 9DTC 5 390 9IU1 6 178 9C4I 7 59 9DK4 8 10 8RQF 9 5 8AAG 11 4 8RQF 10 1 8AAG 14 1 8AAG 16 1 8AAG 15 1 8AAG 13 1 8AAG 12
_pdbx_contact_author.identifier_ORCID 16.257 1 1.15 8 42182 9GYO {word}
_pdbx_contact_author.name_first 16.257 1 1.15 8 1 8B6X {text} 1249 9J8F {line} 40937 9GYO {word}
_pdbx_contact_author.name_last 16.257 1 1.15 8 1 8Q1N {text} 1565 9GWD {line} 40621 9GYO {word}
_pdbx_contact_author.name_mi 4.299 1 1.06 4 170 9EWX {line} 10110 9DUE {word} 3 8I4M {8.52236e+10 - 8.52236e+10} /322 783 9DK4 J 620 9CKV G. 617 9CYR A 492 9CK3 M
_pdbx_contact_author.role 16.257 1 1.15 8 42187 9GYO principal investigator/group leader
_pdbx_coordinate_model.asym_id 0.205 1 7.19 49 3338 8QUE {word} /57 405 8WDC A 341 8WDC B 292 8WDC C 220 8JN7 D 182 8JN3 E 170 8JN3 F 148 8JN3 G
_pdbx_coordinate_model.type 0.205 1 7.19 49 3148 8WDC CA ATOMS ONLY 190 8QUE P ATOMS ONLY
_pdbx_database_PDB_obs_spr.date 1.534 1 1.00 2 3476 9J9K {word}
_pdbx_database_PDB_obs_spr.details 0.004 1 1.00 1 5 4UJD supersedes the associated split entries 1 4BP7 superseding all the associated split entries 1 4BTS supersedes associated split entries 1 4TOP Rerefinement 1 4XR7 D_1000206167 is an updated version of 4Q8J that resolves some issues of the original deposited structure such as cis-peptides and other discrepancies between NCS related chains.
_pdbx_database_PDB_obs_spr.id 1.534 1 1.00 2 3476 9J9K SPRSDE
_pdbx_database_PDB_obs_spr.pdb_id 1.534 1 1.00 2 3467 9J9K {word} 9 7E35 {6e+07 - 1e+94}
_pdbx_database_PDB_obs_spr.replace_pdb_id 1.534 1 1.00 2 308 7TVQ {line} 3158 9J9K {word} 10 6NY2 {10 - 4e+87}
_pdbx_database_related.content_type 57.990 1 4.25 287 508838 9JSX unspecified 22806 9GYO associated EM volume 21572 9JSX other EM volume 984 4WT8 split 757 9CBE re-refinement 740 9D9X focused EM volume 319 9FH9 complete structure 300 9D9X consensus EM volume 283 9EOW associated SAS data 261 3IZQ ensemble 223 3J30 representative structure 4 5IQ5 associated NMR restraints 1 3J2Y native structure
_pdbx_database_related.db_id 57.990 1 4.25 287 546516 9GYO {word} 10572 9GWD {1 - 6e+99}
_pdbx_database_related.db_name 57.990 1 4.25 287 490319 9JSX PDB 45422 9GYO EMDB 9400 7TQ1 TargetDB 7609 9GWD BMRB 3878 9DTL TargetTrack 304 9EOW SASBDB 137 6HRN NDB 12 8BMW BIOISIS 6 5VAV BMCD 1 8RVE PDB-Dev
_pdbx_database_related.details 34.234 1 4.30 282 34436 9CTH {text} 294857 9GYO {line} 3471 9F37 {word} 1 6QB1 {5676 - 5676}
_pdbx_database_remark.id 3.983 1 1.15 6 10310 9CBE {0 - 999} /43 4658 8U2Y 700 2375 4GRV 999 1424 8U2Y 650 892 4FVG 300 479 3DOX 600
_pdbx_database_remark.text 3.982 1 1.15 6 10172 9CBE {text} 135 8DFW {line}
_pdbx_database_status.SG_entry 55.444 1 1.00 1 108772 9GYO N 16501 9DTL Y
_pdbx_database_status.deposit_site 96.248 1 1.00 1 126727 9DUE RCSB 50217 9GYO PDBE 34201 9JSX PDBJ 4371 2NDP BMRB 1636 1C6T BNL 316 1MHK NDB
_pdbx_database_status.entry_id 100.000 1 1.00 1 225207 9GYO {word} 739 8E99 {1 - 8e+99}
_pdbx_database_status.methods_development_category 0.199 1 1.00 1 144 8QHH FoldIt 113 8ZUG CASP 108 8Y1R CAPRI 35 9F1G CASD-NMR 18 8U8F GPCR Dock 18 9BH5 RNA-Puzzles 13 6R8I D3R
_pdbx_database_status.pdb_format_compatible 100.000 1 1.00 1 219652 9GYO Y 6294 9DUE N
_pdbx_database_status.process_site 100.000 1 1.00 1 113806 9DUE RCSB 54318 9GYO PDBE 47037 9JSX PDBJ 8494 1CNU BNL 1531 9JDT PDBC 760 1G59 NDB
_pdbx_database_status.recvd_initial_deposition_date 100.000 1 1.00 1 225946 9GYO {word}
_pdbx_database_status.status_code 100.000 1 1.00 1 225946 9GYO REL
_pdbx_database_status.status_code_cs 2.671 1 1.00 1 6036 8PSB REL
_pdbx_database_status.status_code_mr 5.063 1 1.00 1 11439 8PSB REL
_pdbx_database_status.status_code_nmr_data 1.817 1 1.00 1 4098 9GWD REL 7 8P3A REPL 1 8ONG AUCO
_pdbx_database_status.status_code_sf 78.355 1 1.00 1 177039 9DUE REL 2 5U1M AUTH
_pdbx_deposit_group.group_description 2.820 1 1.00 1 4073 7GS6 {text} 2185 7H9J {line} 114 7H1G {word} /157 466 7GNU SARS-CoV-2 main protease screened against COVID Moonshot compounds by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1 364 5P8V High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. 307 5QA2 Nuclease domain of human DCLRE1A screened against the DSPL Fragment Library by X-ray Crystallography at the XChem⏎facility of Diamond Light Source beamline I04-1
_pdbx_deposit_group.group_id 2.821 1 1.00 1 6375 7H9J {word} /188 466 7GNU G_1002272 364 5P8V G_1002001 281 5QA2 G_1002036
_pdbx_deposit_group.group_title 2.820 1 1.00 1 72 5SMN {text} 6265 7H9J {line} 35 5S9R {word} /88 1450 7H2S PanDDA analysis group deposition 785 5PZJ PanDDA analysis group deposition of models of ground state datasets 466 7GNU Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot 457 8S1K To be published 364 5P8V High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. 293 5QJN PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
_pdbx_deposit_group.group_type 2.817 1 1.00 1 3168 7H9J changed state 2299 7H5Z undefined 897 7GUC ground state
_pdbx_diffrn_reflns_shell.Rmerge_I_obs 0.748 1 14.32 81 24193 5YBD {0.01 - 47.4}
_pdbx_diffrn_reflns_shell.Rsym_value 0.123 2 12.02 65 3329 5JWY {0.011 - 4.335}
_pdbx_diffrn_reflns_shell.chi_squared 0.531 6 15.41 80 18472 5YBD {0.026 - 46.666}
_pdbx_diffrn_reflns_shell.d_res_high 0.753 1 14.35 81 24424 5YBD {0.85 - 50}
_pdbx_diffrn_reflns_shell.d_res_low 0.753 1 14.35 81 24424 5YBD {0.88 - 500}
_pdbx_diffrn_reflns_shell.diffrn_id 0.753 1 14.35 81 21008 5YBD 1 1791 4KK7 2 1331 4GMA 3 229 4GMA 4 19 2PBI 6 19 2PBI 5 9 2F5T 9 9 2F5T 8 9 2F5T 7
_pdbx_diffrn_reflns_shell.number_obs 0.101 1 15.24 81 3489 5HKM {12 - 89730}
_pdbx_diffrn_reflns_shell.percent_possible_obs 0.641 1 14.53 81 21059 3WW5 {0.2 - 100} /804 7699 3WW5 100.00 1432 3WW5 99.90 776 2NSA 100.000
_pdbx_diffrn_reflns_shell.redundancy 0.622 1 14.17 80 19928 5YBD {1 - 131.7} /852 509 5HEV 3.80
_pdbx_diffrn_reflns_shell.rejects 0.025 8 13.32 40 759 4U6L {0 - 4836} /329 18 3K10 2
_pdbx_distant_solvent_atoms.PDB_model_num 15.328 1 4.96 2124 171877 9DTL {1 - 234} /116 171052 9DTL 1 64 7MHL 2
_pdbx_distant_solvent_atoms.auth_asym_id 15.328 1 4.96 2124 171690 9DTL {word} 187 8RVP {0 - 333} /266 80052 9DTL A 35743 9DT8 B 14400 9DN4 C 11133 9JER D 4279 9D5W E
_pdbx_distant_solvent_atoms.auth_atom_id 15.328 1 4.96 2124 171877 9DTL O
_pdbx_distant_solvent_atoms.auth_comp_id 15.328 1 4.96 2124 171639 9DTL HOH 238 9BPE DOD
_pdbx_distant_solvent_atoms.auth_seq_id 15.328 1 4.96 2124 171877 9DTL {3 - 12077}
_pdbx_distant_solvent_atoms.id 15.328 1 4.96 2124 171877 9DTL {1 - 2124}
_pdbx_distant_solvent_atoms.label_alt_id 0.224 1 2.09 97 741 9IYK A 238 8S5Y B 34 8RFQ C 27 7X9K E 7 5PHM D 3 7U7C b 1 5TOG c 1 7BNH a 1 6T7O 0
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 0.890 1 1.94 106 3892 9IYK {5.81 - 93.3}
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 15.205 1 4.89 2124 167985 9DTL {5.81 - 121.07}
_pdbx_entity_branch.entity_id 5.520 1 1.68 22 20946 9D77 {1 - 61} /26 7752 9D77 2 4653 9D77 3 3199 9J4J 4 1909 9IU1 5 1216 9CKV 6 746 9CK8 7
_pdbx_entity_branch.type 5.520 1 1.68 22 20946 9D77 oligosaccharide
_pdbx_entity_branch_descriptor.descriptor 5.519 1 4.94 66 2807 9IIE {text} 58746 9D77 {word}
_pdbx_entity_branch_descriptor.entity_id 5.519 1 4.94 66 61553 9D77 {1 - 61} /26 22431 9D77 2 13714 9D77 3 9502 9J4J 4 5688 9IU1 5 3621 9CKV 6 2222 9CK8 7
_pdbx_entity_branch_descriptor.ordinal 5.519 1 4.94 66 61553 9D77 {1 - 66} /66 12471 9D77 1 12354 9D77 2 11786 9D77 3 4516 9D77 4 4452 9D77 5 4363 9D77 6 1979 9IU1 7
_pdbx_entity_branch_descriptor.program 5.519 1 4.94 66 20788 9D77 PDB-CARE 20752 9D77 PDB2Glycan 20013 9D77 GMML
_pdbx_entity_branch_descriptor.program_version 5.503 1 3.28 44 20752 9D77 1.1.0 20013 9D77 1.0
_pdbx_entity_branch_descriptor.type 5.519 1 4.94 66 20788 9D77 LINUCS 20752 9D77 WURCS 20013 9D77 Glycam Condensed Sequence
_pdbx_entity_branch_link.atom_id_1 5.520 1 4.16 93 50894 9D77 C1 863 9J4K C2 37 8VDU C3 27 7Q0I C4 17 9B4H C5 5 8D53 C6 3 8Y4A C8
_pdbx_entity_branch_link.atom_id_2 5.520 1 4.16 93 30781 9D77 O4 8279 9D77 O3 8052 9D77 O6 4197 9J4K O2 223 9J4K O1 125 9B4H O5 79 6LBB S4 57 8OPO O8 16 8PPN S1 12 6LBV S6 11 6JGQ S2 9 6BPP O7 2 3BVU S3 1 4HIZ O9 1 4D4B S 1 1QHO N4
_pdbx_entity_branch_link.comp_id_1 5.520 1 4.16 93 51846 9D77 {word} /223 16602 9D77 NAG 13131 9D77 MAN 7915 9D77 BMA 3267 9J4K GLC 2784 9D77 FUC 1738 9BMK BGC
_pdbx_entity_branch_link.comp_id_2 5.520 1 4.16 93 51846 9D77 {word} /270 27037 9D77 NAG 8028 9D77 BMA 6078 9CKV MAN 3047 8ZRZ GLC 2219 8ZRZ BGC
_pdbx_entity_branch_link.entity_branch_list_num_1 5.520 1 4.16 93 51846 9D77 {1 - 36} /36 20441 9D77 2 11871 9D77 3 7158 9D77 4 4818 9D77 5 2953 9D77 6 1771 9IIE 7
_pdbx_entity_branch_link.entity_branch_list_num_2 5.520 1 4.16 93 51846 9D77 {1 - 35} /35 22997 9D77 1 11597 9D77 2 9800 9D77 3 3615 9CKV 4 1453 9INT 5
_pdbx_entity_branch_link.entity_id 5.520 1 4.16 93 51846 9D77 {1 - 61} /26 16932 9D77 2 10828 9D77 3 7507 9J4J 4 4906 9IU1 5 3405 9CKV 6 2397 9CK8 7
_pdbx_entity_branch_link.leaving_atom_id_1 5.520 1 4.16 93 50851 9D77 O1 853 9J4K O2 35 8VDU H3 26 7Q0I H4 17 9J4J H11 17 8YA7 H1 10 8CSJ H2 10 8BRN H5 6 9B4H H51 5 8D53 H61 4 1UOZ S1 3 5MWK H7 3 8Y4A H81 2 5NUR H31 1 4E52 O5 1 8H4V H9 1 1SR5 H1C 1 2R1X O4
_pdbx_entity_branch_link.leaving_atom_id_2 5.520 1 4.16 93 51846 9D77 {word} /25 30772 9D77 HO4 8277 9D77 HO3 8051 9D77 HO6 4194 9J4K HO2 222 9J4K HO1
_pdbx_entity_branch_link.link_id 5.520 1 4.16 93 51846 9D77 {1 - 93} /93 12472 9D77 1 7671 9D77 2 6043 9D77 3 4421 9D77 4 3578 9D77 5 2845 9D77 6 2303 9D77 7
_pdbx_entity_branch_link.value_order 5.520 1 4.16 93 51846 9D77 sing
_pdbx_entity_branch_list.comp_id 5.520 2 5.83 109 72681 9D77 {word} /357 32456 9D77 NAG 13393 9D77 MAN 8025 9D77 BMA 4553 9J4K GLC 2803 9D77 FUC
_pdbx_entity_branch_list.entity_id 5.520 2 5.83 109 72681 9D77 {1 - 61} /26 24595 9D77 2 15469 9D77 3 10701 9J4J 4 6814 9IU1 5 4620 9CKV 6 3142 9CK8 7
_pdbx_entity_branch_list.hetero 5.520 2 5.83 109 72613 9D77 n 68 8QMJ y
_pdbx_entity_branch_list.num 5.520 2 5.83 109 72681 9D77 {1 - 36} /36 20978 9D77 1 20947 9D77 2 11881 9D77 3 7157 9D77 4 4822 9D77 5 2948 9D77 6
_pdbx_entity_instance_feature.auth_comp_id 17.957 1 1.48 34 59697 9GYO {word} 194 9CTX {3 - 8e+08}
_pdbx_entity_instance_feature.comp_id 17.957 1 1.48 34 59697 9GYO {word} 194 9CTX {3 - 8e+08}
_pdbx_entity_instance_feature.feature_type 17.957 1 1.48 34 59891 9GYO SUBJECT OF INVESTIGATION
_pdbx_entity_instance_feature.ordinal 17.957 1 1.48 34 59891 9GYO {1 - 34} /34 40574 9GYO 1 10639 9GYO 2 4174 9DTC 3 1758 9IYK 4
_pdbx_entity_nonpoly.comp_id 88.426 1 2.93 31 583576 9GYO {word} 1615 9CTX {0 - 9e+09}
_pdbx_entity_nonpoly.entity_id 88.426 1 2.93 31 585191 9GYO {1 - 173} /148 146705 9DUE 3 140601 9DUE 2 114412 9DUE 4 71797 9DUE 5 40420 9GYO 6 21609 9GYO 7
_pdbx_entity_nonpoly.name 88.426 1 2.93 31 11440 9DTC {text} 246998 9DUE {line} 326753 9GYO {word}
_pdbx_entity_src_syn.details 3.099 1 1.19 8 542 8R1X {text} 7493 9BDN {line} 308 8QMC {word} 3 4RI9 {1 - 3}
_pdbx_entity_src_syn.entity_id 11.076 1 1.47 455 36685 9DP4 {1 - 455} /455 13370 9DP4 2 7896 9DLL 1 6778 9DP4 3 2199 9DP4 4 967 9CPO 5
_pdbx_entity_src_syn.ncbi_taxonomy_id 9.007 1 1.53 455 34 8S9Z {line} 31001 9DP4 {17 - 3.04917e+06}
_pdbx_entity_src_syn.organism_common_name 2.719 1 1.12 16 282 9BDN {text} 1072 9BVV {line} 5533 9J26 {word} 9 8DW7 {3 - 32630} /431 2592 8V3P Human 1608 9J26 human 445 6JSZ HUMAN 146 8U77 Baker's yeast
_pdbx_entity_src_syn.organism_scientific 8.985 1 1.53 455 10 8K34 {text} 30407 9DP4 {line} 550 9BIC {word}
_pdbx_entity_src_syn.pdbx_alt_source_flag 11.076 1 1.47 455 36685 9DP4 sample
_pdbx_entity_src_syn.pdbx_beg_seq_num 7.028 1 1.61 455 25587 9DP4 {1 - 392} /43 25521 9DP4 1 7 7Q6I 30
_pdbx_entity_src_syn.pdbx_end_seq_num 7.028 1 1.61 455 25587 9DP4 {1 - 8064} /323 1256 9JA1 9
_pdbx_entity_src_syn.pdbx_src_id 11.076 1 1.47 455 36616 9DP4 1 61 9BDN 2 8 7AXQ 3
_pdbx_entry_details.compound_details 2.389 1 1.00 1 4080 9EYJ {text} 1312 9EQ7 {line} 3 8CIZ {word} 2 6NR3 {1 - 1}
_pdbx_entry_details.entry_id 33.233 1 1.00 1 74832 9GYO {word} 257 8E99 {7 - 8e+99}
_pdbx_entry_details.has_ligand_of_interest 23.483 1 1.00 1 37208 9GYO Y 15850 9DRD N
_pdbx_entry_details.has_protein_modification 2.417 1 1.00 1 5143 9GYO Y 317 9DUE N
_pdbx_entry_details.nonpolymer_details 1.492 1 1.00 1 2261 8VZA {text} 1095 8U3H {line} 14 5AR4 {word}
_pdbx_entry_details.sequence_details 5.786 1 1.00 1 8066 9CC0 {text} 4977 9C3E {line} 31 7CTQ {word}
_pdbx_entry_details.source_details 0.054 1 1.00 1 80 7VFP {text} 43 7F0D {line} /91 9 3KCO THE PROTEIN WAS PURCHASED FROM HAMPTON RESEARCH 4 7EEQ The source organism is a short-tailed cyanophage which was separated and sequenced by the author.
_pdbx_exptl_crystal_cryo_treatment.cooling_details 0.002 1 1.40 2 4 4N0P Direct immersion in liquid nitrogen 3 6DA9 Direct immersion in liquid nitrogen.
_pdbx_exptl_crystal_cryo_treatment.crystal_id 0.002 1 1.40 2 5 6DA9 1 2 4N0P 2
_pdbx_exptl_crystal_cryo_treatment.final_solution_details 0.002 1 1.50 2 1 4FMT 30% (w/v) PEG-8000, 0.01 M potassium dicyanoaurate (I) in precipitant 1 4FMT 30% (w/v) PEG-8000 in precipitant 1 4N0P 30% (w/v) PEG-4000, 0.007 M thimerosal in precipitant 1 4N0P 30% (w/v) PEG-4000 in precipitant 1 6DA7 20% glycerol in precipitant solution 1 6DA9 3mM TtnD1, 3mM MnCl2, 0.5 mM FMN, 20% glycerol in precipitant solution
_pdbx_exptl_crystal_cryo_treatment.soaking_details 0.001 1 1.00 1 1 4FMT First the PEG-8000 was increased to 30% (w/v) PEG-8000 in precipitant. ⏎Potassium dicyanoaurate (I) was then added to a final concentration of 0.010 M ⏎and after 190 minutes the crystal was harvested. 1 4N0P First PEG-4000 was added to 30% (w/v) in precipitant. ⏎Thimerosal was then added to a final concentration of 0.007 M ⏎and after 70 minutes the crystal was harvested.
_pdbx_exptl_crystal_grow_comp.comp_id 0.002 7 8.80 10 5 6DA9 7 5 6DA9 6 5 6DA9 4 5 6DA9 2 5 6DA9 5 5 6DA9 3 5 6DA9 1 3 6DA6 10 3 6DA6 9 3 6DA6 8
_pdbx_exptl_crystal_grow_comp.comp_name 0.002 7 8.80 10 5 6DA9 protein 5 6DA9 NaCl 5 6DA9 KCl 4 4Z5Q PEG 3350 4 4Z5Q Bis-Tris 3 6DA9 Tetraethylammonium hydroxide, TEAOH 2 6DA9 pentaerythritol propoxylate (5/4 PO/OH) 2 4Z5P ammonium acetate 2 4Z5Q TEAOH 2 6DA9 sodium thiocyanate 2 4Z5Q MgCl2 2 6DA9 HEPES 1 6DA6 imidazole 1 6DA6 calcium chloride 1 6DA6 PEG 4000 1 6DA6 MES 1 6DA6 magnesium chloride 1 6DA6 glycerol
_pdbx_exptl_crystal_grow_comp.conc 0.002 7 8.80 10 10 6DA9 10. 6 6DA9 0.2 6 6DA9 20. 6 6DA9 0.1 4 4Z5Q 25. 3 6DA9 18.6 2 6DA9 40.0 2 6DA6 0.030 1 4Z5P 17. 1 6DA6 10.0 1 6DA6 0.062 1 6DA6 0.038 1 4Z5Q 11.
_pdbx_exptl_crystal_grow_comp.conc_units 0.002 7 8.80 10 16 6DA9 molar 15 6DA9 millimolar 5 6DA6 percent_weight_by_volume 5 6DA9 mg/ml 3 6DA9 percent_volume_by_volume
_pdbx_exptl_crystal_grow_comp.crystal_id 0.002 7 8.80 10 44 6DA9 1
_pdbx_exptl_crystal_grow_comp.sol_id 0.002 7 8.80 10 20 6DA9 macromolecule 18 6DA9 precipitant 6 4Z5Q reservoir
_pdbx_exptl_crystal_grow_sol.crystal_id 0.002 3 3.00 3 15 6DA9 1
_pdbx_exptl_crystal_grow_sol.pH 0.002 3 3.00 3 5 6DA9 7.5 4 6DA6 6.5 4 6DA9 7.0 2 4Z5P 6.77
_pdbx_exptl_crystal_grow_sol.sol_id 0.002 3 3.00 3 5 6DA9 reservoir 5 6DA9 precipitant 5 6DA9 macromolecule
_pdbx_exptl_crystal_grow_sol.volume 0.002 3 3.00 3 9 6DA9 0.3 2 4Z5P 1.0 2 4Z5Q 0.5 2 4Z5Q 2.0
_pdbx_exptl_crystal_grow_sol.volume_units 0.002 3 3.00 3 10 6DA9 microliter 5 6DA9 milliliter
_pdbx_helical_symmetry.circular_symmetry 0.112 1 1.00 1 199 9CX6 1 13 8FOF 3 12 9BJO 2 9 8FOY 6 9 7LQI 5 6 6WKY 4 4 7T0X 7 1 3C9K 11
_pdbx_helical_symmetry.dyad_axis 0.111 1 1.00 1 249 9CX6 no 2 6MW3 yes
_pdbx_helical_symmetry.entry_id 0.116 1 1.00 1 263 9CX6 {word} /263 1 5WJX 5WJX
_pdbx_helical_symmetry.n_subunits_divisor 0.111 1 1.00 1 245 9CX6 1 4 1RMV 49 1 5A79 111 1 5A7A 106
_pdbx_helical_symmetry.number_of_operations 0.115 1 1.00 1 259 9CX6 {1 - 210} /62 18 6B0L 35 17 5TD6 1 17 8GI2 20 16 9CX6 10 12 8SPA 5
_pdbx_helical_symmetry.rise_per_n_subunits 0.114 1 1.00 1 258 9CX6 {0.2 - 145} /204 7 1HH0 2.900000
_pdbx_helical_symmetry.rotation_per_n_subunits 0.115 1 1.00 1 259 9CX6 {-178.83 - 1800} /208 6 2XKM 65.915000
_pdbx_initial_refinement_model.accession_code 53.000 1 1.06 20 12 9CYL {line} 126928 9DUE {word} 352 8ZUH {0 - 2e+99}
_pdbx_initial_refinement_model.details 22.850 1 1.11 20 262 9FIJ {text} 55522 9GSQ {line} 1552 9CD7 {word} 1 8Z28 {1111 - 1111}
_pdbx_initial_refinement_model.entity_id_list 0.203 1 1.09 4 111 9FEA {word} 390 9D77 {1 - 100} /48 364 9D77 1 19 8RIH A
_pdbx_initial_refinement_model.id 56.083 1 1.06 20 126717 9DUE 1 5317 9DKZ 2 1197 9IY2 3 501 9CTH 4 228 9CTH 5 142 8W41 6 102 8C6J 7 82 8C6J 8 38 8C6J 9 24 8C6J 10 9 7N1L 12 9 7N1L 11 8 7N1L 13 6 7N1L 14 5 7N1L 15 4 7N1L 17 4 7N1L 16 4 7N1L 18 2 7N1L 19 1 6TKX 20
_pdbx_initial_refinement_model.source_name 54.986 1 1.06 20 126927 9DUE PDB 3320 9GSQ Other 1443 9DQM AlphaFold 95 8VQD SwissModel 36 9BK7 RoseTTAFold 25 7R3I PHYRE 20 8W2J Modeller 17 8QQ7 ITasser 11 4E60 InsightII 11 3TR2 ModelArchive 10 8Z6G Robetta
_pdbx_initial_refinement_model.type 56.083 1 1.06 20 129820 9DUE experimental model 2308 9EZ8 other 2263 9DQM in silico model 9 9C10 integrative model
_pdbx_modification_feature.PDB_ins_code 0.007 1 1.75 6 16 8DF1 A 7 4OCW G 4 6DE7 C 1 4OCW I
_pdbx_modification_feature.auth_asym_id 2.276 1 9.15 360 46883 9GYO {word} 187 9FO3 {0 - 66} /370 16732 9DTL A 9373 9DP4 B 5150 9D77 C 2975 9D77 D 1953 9JFN E
_pdbx_modification_feature.auth_comp_id 2.276 1 9.15 360 47050 9GYO {word} 20 7BQY {0 - 816} /586 25954 9GYO CYS 9429 9DTL MSE 7261 9D77 NAG 374 8IAO HEC
_pdbx_modification_feature.auth_seq_id 2.276 1 9.15 360 47070 9GYO {-14 - 9416}
_pdbx_modification_feature.category 2.276 1 9.15 360 25928 9GYO Disulfide bridge 11007 9DTL Named protein modification 7487 9D77 Carbohydrate 839 9JFN Covalent chemical modification 401 8IAO Heme/heme-like 350 9JFN Non-standard residue 350 9C5E Non-standard linkage 170 8RU3 Terminal acetylation 141 8Z5E Lipid/lipid-like 138 9EQ5 Chromophore/chromophore-like 127 8RU3 Terminal amidation 63 9BFG Crosslinker 36 8UMB Isopeptide bond 28 8QIT Flavin 4 6WZ4 Amino acid 1 3SGI Nucleotide monophosphate
_pdbx_modification_feature.comp_id_linking_atom 1.782 1 8.76 360 35278 9GYO {word} /149 25956 9GYO SG 7545 9D77 C1 296 8YB4 CAC
_pdbx_modification_feature.label_alt_id 0.131 1 3.49 28 551 9DSY A 463 9DSY B 20 8BSE C 2 5RBY D
_pdbx_modification_feature.label_asym_id 2.276 1 9.15 360 47070 9GYO {word} /173 14822 9DTL A 8682 9DP4 B 4887 9D77 C 3383 9GYO D 2069 9GYO E
_pdbx_modification_feature.label_comp_id 2.276 1 9.15 360 47050 9GYO {word} 20 7BQY {0 - 816} /586 25954 9GYO CYS 9429 9DTL MSE 7261 9D77 NAG 374 8IAO HEC
_pdbx_modification_feature.label_seq_id 2.091 1 8.07 360 38133 9GYO {1 - 4876}
_pdbx_modification_feature.modified_residue_PDB_ins_code 0.014 1 1.35 4 20 6YN3 G 7 9FZP A 6 7LS9 F 3 7TBF B 2 2G7Y D 2 6TYB C 1 3S9C E 1 4OCW R
_pdbx_modification_feature.modified_residue_auth_asym_id 1.817 1 8.67 360 35414 9GYO {word} 161 9FO3 {0 - 66} /403 12596 9GWD A 7175 9DP4 B 4219 9G48 C 2111 9G48 D 1521 9JFN E
_pdbx_modification_feature.modified_residue_auth_comp_id 1.817 1 8.67 360 35572 9GYO {word} 3 4U27 {4 - 4} /59 26880 9GYO CYS 7346 9D77 ASN 300 9FZP SER
_pdbx_modification_feature.modified_residue_auth_seq_id 1.817 1 8.67 360 35575 9GYO {-19 - 4882}
_pdbx_modification_feature.modified_residue_id 1.190 1 7.65 122 138 9EQ5 {line} 20437 9DTL {word} /42 9540 9DTL MET 7327 9D77 ASN 1492 9FL0 CYS 607 9D9K SER