data_EMD-11692
# 
_entry.id   EMD-11692 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.395 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7AAP         pdb_00007aap 10.2210/pdb7aap/pdb 
WWPDB D_1292111066 ?            ?                   
EMDB  EMD-11692    ?            ?                   
# 
_pdbx_database_related.db_name        EMDB 
_pdbx_database_related.details        
'Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-directed RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP' 
_pdbx_database_related.db_id          EMD-11692 
_pdbx_database_related.content_type   'associated EM volume' 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Proc.Natl.Acad.Sci.USA 
_citation.journal_id_ASTM           PNASA6 
_citation.journal_id_CSD            0040 
_citation.journal_id_ISSN           1091-6490 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            118 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.' 
_citation.year                      2021 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1073/pnas.2021946118 
_citation.pdbx_database_id_PubMed   33526596 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Naydenova, K.'       1  0000-0001-5533-5930 
primary 'Muir, K.W.'          2  ?                   
primary 'Wu, L.F.'            3  0000-0002-0635-1624 
primary 'Zhang, Z.'           4  0000-0002-7268-9631 
primary 'Coscia, F.'          5  0000-0001-7962-303X 
primary 'Peet, M.J.'          6  0000-0002-0162-0063 
primary 'Castro-Hartmann, P.' 7  0000-0002-8991-9560 
primary 'Qian, P.'            8  0000-0002-5888-8546 
primary 'Sader, K.'           9  ?                   
primary 'Dent, K.'            10 ?                   
primary 'Kimanius, D.'        11 ?                   
primary 'Sutherland, J.D.'    12 0000-0001-7099-4731 
primary 'Lowe, J.'            13 0000-0002-5218-6615 
primary 'Barford, D.'         14 ?                   
primary 'Russo, C.J.'         15 0000-0002-4442-744X 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Non-structural protein 12' 110521.938 1 
3.4.19.12,3.4.22.-,3.4.22.69,2.7.7.48,3.6.4.12,3.6.4.13,3.1.13.-,3.1.-.-,2.1.1.- ? ? ? 
2 polymer     man 'Non-structural protein 8' 21903.047  2 
3.4.19.12,3.4.22.-,3.4.22.69,2.7.7.48,3.6.4.12,3.6.4.13,3.1.13.-,3.1.-.-,2.1.1.- ? ? ? 
3 polymer     man 'Non-structural protein 7' 9248.804   1 
3.4.19.12,3.4.22.-,3.4.22.69,2.7.7.48,3.6.4.12,3.6.4.13,3.1.13.-,3.1.-.-,2.1.1.- ? ? ? 
4 polymer     syn 
;RNA (5'-R(P*UP*UP*AP*AP*GP*UP*UP*AP*U)-3')
;
7696.575   1 ?                                                                                ? ? ? 
5 polymer     syn 
;RNA (5'-R(P*UP*UP*CP*AP*UP*AP*AP*CP*UP*UP*AP*A)-3')
;
9418.569   1 ?                                                                                ? ? ? 
6 non-polymer syn 'ZINC ION' 65.409     2 ?                                                                                ? ? ? 
7 non-polymer syn 'MAGNESIUM ION' 24.305     3 ?                                                                                ? 
? ? 
8 non-polymer syn 'PYROPHOSPHATE 2-' 175.959    1 ?                                                                                
? ? ? 
9 non-polymer syn 
;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
;
529.157    1 ?                                                                                ? ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.pdbx_seq_one_letter_code 
1 'polypeptide(L)'   
;SADAQSFLNRVCGVSAARLTPCGTGTSTDVVYRAFDIYNDKVAGFAKFLKTNCCRFQEKDEDDNLIDSYFVVKRHTFSNY
QHEETIYNLLKDCPAVAKHDFFKFRIDGDMVPHISRQRLTKYTMADLVYALRHFDEGNCDTLKEILVTYNCCDDDYFNKK
DWYDFVENPDILRVYANLGERVRQALLKTVQFCDAMRNAGIVGVLTLDNQDLNGNWYDFGDFIQTTPGSGVPVVDSYYSL
LMPILTLTRALTAESHVDTDLTKPYIKWDLLKYDFTEERLKLFDRYFKYWDQTYHPNCVNCLDDRCILHCANFNVLFSTV
FPPTSFGPLVRKIFVDGVPFVVSTGYHFRELGVVHNQDVNLHSSRLSFKELLVYAADPAMHAASGNLLLDKRTTCFSVAA
LTNNVAFQTVKPGNFNKDFYDFAVSKGFFKEGSSVELKHFFFAQDGNAAISDYDYYRYNLPTMCDIRQLLFVVEVVDKYF
DCYDGGCINANQVIVNNLDKSAGFPFNKWGKARLYYDSMSYEDQDALFAYTKRNVIPTITQMNLKYAISAKNRARTVAGV
SICSTMTNRQFHQKLLKSIAATRGATVVIGTSKFYGGWHNMLKTVYSDVENPHLMGWDYPKCDRAMPNMLRIMASLVLAR
KHTTCCSLSHRFYRLANECAQVLSEMVMCGGSLYVKPGGTSSGDATTAYANSVFNICQAVTANVNALLSTDGNKIADKYV
RNLQHRLYECLYRNRDVDTDFVNEFYAYLRKHFSMMILSDDAVVCFNSTYASQGLVASIKNFKSVLYYQNNVFMSEAKCW
TETDLTKGPHEFCSQHTMLVKQGDDYVYLPYPDPSRILGAGCFVDDIVKTDGTLMIERFVSLAIDAYPLTKHPNQEYADV
FHLYLQYIRKLHDELTGHMLDMYSVMLTNDNTSRYWEPEFYEAMYTPHTVLQENLYFQSWSHPQFEKGGGSGGGSGGGSW
SHPQFEK
;
2 'polypeptide(L)'   
;AIASEFSSLPSYAAFATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKR
AKVTSAMQTMLFTMLRKLDNDALNNIINNARDGCVPLNIIPLTTAAKLMVVIPDYNTYKNTCDGTTFTYASALWEIQQVV
DADSKIVQLSEISMDNSPNLAWPLIVTALRANSAVKLQ
;
3 'polypeptide(L)'   
;SKMSDVKCTSVVLLSVLQQLRVESSSKLWAQCVQLHNDILLAKDTTEAFEKMVSLLSVLLSMQGAVDINKLCEEMLDNRA
TLQ
;
4 polyribonucleotide CAGUGCUAUGUGAGAUUAAGUUAU 
5 polyribonucleotide UUUUUCAUAACUUAAUCUCACAUAGCACUG 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
6 'ZINC ION' ZN  
7 'MAGNESIUM ION' MG  
8 'PYROPHOSPHATE 2-' POP 
9 
;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
;
GE6 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_culture_collection 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 967 2019-nCoV ? 'rep, 1a-1b' ? ? ? ? ? ? 'Severe acute respiratory syndrome coronavirus 2' 
2697049 ? ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 198 2019-nCoV ? 'rep, 1a-1b' ? ? ? ? ? ? 'Severe acute respiratory syndrome coronavirus 2' 
2697049 ? ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
3 1 sample 'Biological sequence' 1 83  2019-nCoV ? 'rep, 1a-1b' ? ? ? ? ? ? 'Severe acute respiratory syndrome coronavirus 2' 
2697049 ? ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
4 1 sample 1 24 'Severe acute respiratory syndrome coronavirus 2' ? 2697049 ? 
5 1 sample 1 30 'Severe acute respiratory syndrome coronavirus 2' ? 2697049 ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A   'RNA linking'       y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P'     347.221 
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2'          89.093  
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'      175.209 
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'         132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'          133.103 
C   'RNA linking'       y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P'      323.197 
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'        121.158 
G   'RNA linking'       y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P'     363.221 
GE6 non-polymer         . 
;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
;
? 'C10 H15 F N3 O15 P3' 529.157 
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'        146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'          147.129 
GLY 'peptide linking'   y GLYCINE ? 'C2 H5 N O2'          75.067  
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'      156.162 
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'         131.173 
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'         131.173 
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'      147.195 
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'       149.211 
MG  non-polymer         . 'MAGNESIUM ION' ? 'Mg 2'                24.305  
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'         165.189 
POP non-polymer         . 'PYROPHOSPHATE 2-' ? 'H2 O7 P2 -2'         175.959 
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2'          115.130 
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3'          105.093 
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3'          119.119 
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'       204.225 
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'         181.189 
U   'RNA linking'       y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P'      324.181 
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2'         117.146 
ZN  non-polymer         . 'ZINC ION' ? 'Zn 2'                65.409  
# 
_exptl.entry_id         EMD-11692 
_exptl.details          ? 
_exptl.method           'ELECTRON MICROSCOPY' 
_exptl.method_details   ? 
# 
_struct_keywords.entry_id        EMD-11692 
_struct_keywords.text            'RNA-dependent RNA polymerase, Favipiravir, SARS-CoV2, nCovid19, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
_struct_keywords.pdbx_details    ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.entity_id 
1 UNP R1AB_SARS2 1 
2 UNP R1AB_SARS2 2 
3 UNP R1AB_SARS2 3 
4 PDB 7AAP       4 
5 PDB 7AAP       5 
# 
_em_3d_fitting.entry_id          EMD-11692 
_em_3d_fitting.id                1 
_em_3d_fitting.details           ? 
_em_3d_fitting.overall_b_value   ? 
_em_3d_fitting.ref_protocol      ? 
_em_3d_fitting.ref_space         REAL 
_em_3d_fitting.target_criteria   ? 
_em_3d_fitting.method            ? 
# 
_em_3d_fitting_list.3d_fitting_id                 1 
_em_3d_fitting_list.id                            1 
_em_3d_fitting_list.details                       ? 
_em_3d_fitting_list.pdb_chain_id                  ? 
_em_3d_fitting_list.pdb_chain_residue_range       ? 
_em_3d_fitting_list.pdb_entry_id                  7BV2 
_em_3d_fitting_list.initial_refinement_model_id   1 
_em_3d_fitting_list.chain_id                      ? 
_em_3d_fitting_list.chain_residue_range           ? 
_em_3d_fitting_list.source_name                   PDB 
_em_3d_fitting_list.type                          'experimental model' 
_em_3d_fitting_list.accession_code                7BV2 
# 
_em_3d_reconstruction.entry_id                    EMD-11692 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.fsc_type                    ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.num_particles               40828 
_em_3d_reconstruction.resolution                  2.5 
_em_3d_reconstruction.resolution_method           'FSC 0.143 CUT-OFF' 
_em_3d_reconstruction.symmetry_type               POINT 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.magnification_calibration   ? 
# 
_em_buffer.id            1 
_em_buffer.details       ? 
_em_buffer.pH            7.5 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
# 
loop_
_em_entity_assembly.id 
_em_entity_assembly.parent_id 
_em_entity_assembly.details 
_em_entity_assembly.go_id 
_em_entity_assembly.name 
_em_entity_assembly.source 
_em_entity_assembly.type 
_em_entity_assembly.entity_id_list 
_em_entity_assembly.ipr_id 
_em_entity_assembly.synonym 
_em_entity_assembly.number_of_copies 
_em_entity_assembly.oligomeric_details 
1 0 ? ? 'Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-directed RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP' 
'MULTIPLE SOURCES' COMPLEX '1, 2, 3, 4, 5' ? ? ? ? 
2 1 ? ? 'Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-directed RNA polymerase'                                                           
RECOMBINANT        COMPLEX 1,2,3           ? ? ? ? 
3 1 ? ? RNA                                                                                                               
RECOMBINANT        COMPLEX 4,5             ? ? ? ? 
# 
_em_imaging.id                              1 
_em_imaging.entry_id                        EMD-11692 
_em_imaging.accelerating_voltage            300 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.cryogen                         ? 
_em_imaging.details                         ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.microscope_model                'TFS KRIOS' 
_em_imaging.mode                            'BRIGHT FIELD' 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_max             ? 
_em_imaging.nominal_defocus_min             ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.recording_temperature_maximum   ? 
_em_imaging.recording_temperature_minimum   ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.specimen_holder_model           ? 
_em_imaging.specimen_id                     1 
_em_imaging.sample_support_id               1 
_em_imaging.citation_id                     ? 
_em_imaging.detector_id                     1 
_em_imaging.scans_id                        1 
_em_imaging.date                            ? 
_em_imaging.temperature                     ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.astigmatism                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.specimen_holder_type            ? 
# 
_em_vitrification.id                      1 
_em_vitrification.specimen_id             1 
_em_vitrification.chamber_temperature     ? 
_em_vitrification.cryogen_name            ETHANE 
_em_vitrification.details                 ? 
_em_vitrification.humidity                ? 
_em_vitrification.instrument              ? 
_em_vitrification.entry_id                EMD-11692 
_em_vitrification.sample_preparation_id   ? 
_em_vitrification.citation_id             ? 
_em_vitrification.method                  ? 
_em_vitrification.temp                    ? 
_em_vitrification.time_resolved_state     ? 
# 
_em_experiment.entry_id                EMD-11692 
_em_experiment.id                      1 
_em_experiment.aggregation_state       PARTICLE 
_em_experiment.reconstruction_method   'SINGLE PARTICLE' 
_em_experiment.entity_assembly_id      1 
# 
_em_admin.entry_id              EMD-11692 
_em_admin.current_status        REL 
_em_admin.deposition_date       2020-09-04 
_em_admin.deposition_site       PDBE 
_em_admin.details               ? 
_em_admin.last_update           2024-07-10 
_em_admin.map_release_date      2020-09-23 
_em_admin.obsoleted_date        ? 
_em_admin.title                 
'Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP' 
_em_admin.header_release_date   2020-09-23 
# 
loop_
_em_author_list.ordinal 
_em_author_list.author 
_em_author_list.identifier_ORCID 
1 'Naydenova, K.' ? 
2 'Muir, K.W.'    ? 
# 
_em_ctf_correction.id                                1 
_em_ctf_correction.em_image_processing_id            1 
_em_ctf_correction.type                              'PHASE FLIPPING AND AMPLITUDE CORRECTION' 
_em_ctf_correction.details                           ? 
_em_ctf_correction.amplitude_correction              ? 
_em_ctf_correction.amplitude_correction_factor       ? 
_em_ctf_correction.amplitude_correction_space        ? 
_em_ctf_correction.correction_operation              ? 
_em_ctf_correction.phase_reversal                    ? 
_em_ctf_correction.phase_reversal_anisotropic        ? 
_em_ctf_correction.phase_reversal_correction_space   ? 
# 
_em_db_reference.id             1 
_em_db_reference.access_code    7AAP 
_em_db_reference.db_name        PDB 
_em_db_reference.details        ? 
_em_db_reference.relationship   'IN FRAME' 
# 
_em_entity_assembly_molwt.entity_assembly_id   1 
_em_entity_assembly_molwt.id                   1 
_em_entity_assembly_molwt.experimental_flag    NO 
_em_entity_assembly_molwt.units                ? 
_em_entity_assembly_molwt.value                ? 
# 
loop_
_em_entity_assembly_naturalsource.id 
_em_entity_assembly_naturalsource.entity_assembly_id 
_em_entity_assembly_naturalsource.cell 
_em_entity_assembly_naturalsource.cellular_location 
_em_entity_assembly_naturalsource.ncbi_tax_id 
_em_entity_assembly_naturalsource.organ 
_em_entity_assembly_naturalsource.organelle 
_em_entity_assembly_naturalsource.organism 
_em_entity_assembly_naturalsource.strain 
_em_entity_assembly_naturalsource.tissue 
1 2 ? ? 2697049 ? ? 'Severe acute respiratory syndrome coronavirus 2' ? ? 
2 3 ? ? 2697049 ? ? 'Severe acute respiratory syndrome coronavirus 2' ? ? 
# 
loop_
_em_entity_assembly_recombinant.id 
_em_entity_assembly_recombinant.entity_assembly_id 
_em_entity_assembly_recombinant.cell 
_em_entity_assembly_recombinant.ncbi_tax_id 
_em_entity_assembly_recombinant.organism 
_em_entity_assembly_recombinant.plasmid 
_em_entity_assembly_recombinant.strain 
1 2 ? 7111  'Trichoplusia ni'     ? ? 
2 3 ? 32630 'synthetic construct' ? ? 
# 
loop_
_em_euler_angle_assignment.id 
_em_euler_angle_assignment.details 
_em_euler_angle_assignment.image_processing_id 
_em_euler_angle_assignment.order 
_em_euler_angle_assignment.proj_matching_angular_sampling 
_em_euler_angle_assignment.proj_matching_merit_function 
_em_euler_angle_assignment.proj_matching_num_projections 
_em_euler_angle_assignment.type 
1 ? 1 INITIAL ? ? ? 'MAXIMUM LIKELIHOOD' 
2 ? 1 FINAL   ? ? ? 'MAXIMUM LIKELIHOOD' 
# 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
_em_image_processing.details              ? 
# 
_em_image_recording.id                            1 
_em_image_recording.imaging_id                    1 
_em_image_recording.avg_electron_dose_per_image   24.72 
_em_image_recording.average_exposure_time         ? 
_em_image_recording.details                       ? 
_em_image_recording.detector_mode                 ? 
_em_image_recording.film_or_detector_model        'FEI FALCON IV (4k x 4k)' 
_em_image_recording.num_diffraction_images        ? 
_em_image_recording.num_grids_imaged              ? 
_em_image_recording.num_real_images               ? 
# 
loop_
_em_map.entry_id 
_em_map.id 
_em_map.annotation_details 
_em_map.axis_order_fast 
_em_map.axis_order_medium 
_em_map.axis_order_slow 
_em_map.cell_a 
_em_map.cell_alpha 
_em_map.cell_b 
_em_map.cell_beta 
_em_map.cell_c 
_em_map.cell_gamma 
_em_map.contour_level 
_em_map.contour_level_source 
_em_map.data_type 
_em_map.dimensions_col 
_em_map.dimensions_row 
_em_map.dimensions_sec 
_em_map.endian_type 
_em_map.file 
_em_map.format 
_em_map.label 
_em_map.limit_col 
_em_map.limit_row 
_em_map.limit_sec 
_em_map.origin_col 
_em_map.origin_row 
_em_map.origin_sec 
_em_map.partition 
_em_map.pixel_spacing_x 
_em_map.pixel_spacing_y 
_em_map.pixel_spacing_z 
_em_map.size_kb 
_em_map.spacing_x 
_em_map.spacing_y 
_em_map.spacing_z 
_em_map.statistics_average 
_em_map.statistics_maximum 
_em_map.statistics_minimum 
_em_map.statistics_std 
_em_map.symmetry_space_group 
_em_map.type 
EMD-11692 1 'Masked EM density map, sharpened by a B-factor of 20 Angstrom^2, used for model building' X Y Z 208.0 90.0 208.0 90.0 
208.0 90.0 0.01 author 'Image stored as floating point number (4 bytes)' 320 320 320 big emd_11692.map.gz              CCP4 
::::EMDATABANK.org::::EMD-11692:::: 319 319 319 0 0 0 1 0.65 0.65 0.65 131073024 320 320 320 1.8596314E-4 0.11504151 -0.047219016 
0.0031760929 1 'primary map'    
EMD-11692 2 'Unsharpened EM density map'                                                               X Y Z 208.0 90.0 208.0 90.0 
208.0 90.0 0.01 author 'Image stored as floating point number (4 bytes)' 320 320 320 big emd_11692_additional_1.map.gz CCP4 
::::EMDATABANK.org::::EMD-11692:::: 319 319 319 0 0 0 1 0.65 0.65 0.65 131073024 320 320 320 -5.10775E-6  0.08070789 -0.030973442 
0.0027152672 1 'additional map' 
EMD-11692 3 'Mask applied to the final map'                                                            X Y Z 208.0 90.0 208.0 90.0 
208.0 90.0 1    author 'Image stored as floating point number (4 bytes)' 320 320 320 big emd_11692_msk_1.map           CCP4 
::::EMDATABANK.org::::EMD-11692:::: 319 319 319 0 0 0 1 0.65 0.65 0.65 131073024 320 320 320 0.06071867   1.0        0.0          
0.23225583   1 mask             
EMD-11692 4 'EM density half map 1'                                                                    X Y Z 208.0 90.0 208.0 90.0 
208.0 90.0 0.02 author 'Image stored as floating point number (4 bytes)' 320 320 320 big emd_11692_half_map_1.map.gz   CCP4 
::::EMDATABANK.org::::EMD-11692:::: 319 319 319 0 0 0 1 0.65 0.65 0.65 131073024 320 320 320 7.858788E-5  0.0909632  -0.03909911  
0.003564661  1 'half map'       
EMD-11692 5 'EM density half map 2'                                                                    X Y Z 208.0 90.0 208.0 90.0 
208.0 90.0 0.02 author 'Image stored as floating point number (4 bytes)' 320 320 320 big emd_11692_half_map_2.map.gz   CCP4 
::::EMDATABANK.org::::EMD-11692:::: 319 319 319 0 0 0 2 0.65 0.65 0.65 131073024 320 320 320 8.097247E-5  0.10212691 -0.040946912 
0.0035808245 1 'half map'       
# 
loop_
_em_software.id 
_em_software.category 
_em_software.details 
_em_software.name 
_em_software.version 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
1  'CRYSTALLOGRAPHY MERGING'  ? ?      ?              1 1 1 
2  'IMAGE ACQUISITION'        ? ?      ?              ? ? 1 
3  MASKING                    ? ?      ?              ? ? ? 
4  'CTF CORRECTION'           ? ?      ?              1 ? ? 
5  'LAYERLINE INDEXING'       ? ?      ?              ? ? ? 
6  'DIFFRACTION INDEXING'     ? ?      ?              ? ? ? 
7  'MODEL FITTING'            ? MOLREP 11.7.02        ? 1 ? 
8  OTHER                      ? ?      ?              ? ? ? 
9  'INITIAL EULER ASSIGNMENT' ? ?      ?              1 ? ? 
10 'FINAL EULER ASSIGNMENT'   ? ?      ?              1 ? ? 
11 CLASSIFICATION             ? ?      ?              1 ? ? 
12 RECONSTRUCTION             ? ?      ?              1 ? ? 
13 'MODEL REFINEMENT'         ? PHENIX 1.18.2-3784-00 ? 1 ? 
# 
_em_specimen.id                      1 
_em_specimen.experiment_id           1 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
_em_start_model.id                               1 
_em_start_model.details                          
;The structure was determined by molecular replacement using 7BV2. Thereafter, the model was manually corrected in Coot and refined in Phenix, using real-space refinement.
;
_em_start_model.image_processing_id              1 
_em_start_model.emdb_id                          ? 
_em_start_model.insilico_model                   ? 
_em_start_model.orthogonal_tilt_angle1           ? 
_em_start_model.orthogonal_tilt_angle2           ? 
_em_start_model.orthogonal_tilt_num_images       ? 
_em_start_model.other                            ? 
_em_start_model.pdb_id                           7BV2 
_em_start_model.random_conical_tilt_angle        ? 
_em_start_model.random_conical_tilt_num_images   ? 
_em_start_model.type                             'EMDB MAP' 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.details 
_pdbx_audit_support.ordinal 
'Medical Research Council (MRC, United Kingdom)' 'United Kingdom' MC_UP_120117    ? 1 
'Medical Research Council (MRC, United Kingdom)' 'United Kingdom' U105184326      ? 2 
'Wellcome Trust'                                 'United Kingdom' 202754/Z/16/Z   ? 3 
'Medical Research Council (MRC, United Kingdom)' 'United Kingdom' MC_UP_A024_1009 ? 4 
'Medical Research Council (MRC, United Kingdom)' 'United Kingdom' MC_UP_1201/6    ? 5 
'Cancer Research UK'                             'United Kingdom' C576/A14109     ? 6 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   7BV2 
# 
