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- PDB-6wiq: Crystal structure of the co-factor complex of NSP7 and the C-term... -

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Basic information

Entry
Database: PDB / ID: 6wiq
TitleCrystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2
Components
  • Non-structural protein 7
  • Non-structural protein 8
KeywordsVIRAL PROTEIN / SARS CoV-2 / co-factor for RNA polymerase NSP12 / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID
Function / homology
Function and homology information


protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / TRAF3-dependent IRF activation pathway / ISG15-specific peptidase activity ...protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / TRAF3-dependent IRF activation pathway / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / snRNP Assembly / Replication of the SARS-CoV-2 genome / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / host cell endoplasmic reticulum-Golgi intermediate compartment / double membrane vesicle viral factory outer membrane / SARS coronavirus main proteinase / 5'-3' DNA helicase activity / 3'-5'-RNA exonuclease activity / host cell endosome / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / omega peptidase activity / mRNA (guanine-N7)-methyltransferase / SARS-CoV-2 modulates host translation machinery / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated suppression of host NF-kappaB cascade / symbiont-mediated perturbation of host ubiquitin-like protein modification / DNA helicase / methyltransferase cap1 activity / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / regulation of autophagy / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / host cell endoplasmic reticulum membrane / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated suppression of host gene expression / copper ion binding / viral translational frameshifting / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / DNA-templated transcription / lipid binding / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / ATP hydrolysis activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane
Similarity search - Function
RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Coronavirus Nsp12 Interface domain profile. / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / Nidovirus 2-O-methyltransferase / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Non-structural protein NSP15, N-terminal domain superfamily, coronavirus / Non-structural protein NSP15, middle domain superfamily / Coronavirus replicase NSP15, N-terminal oligomerization / Nonstructural protein 15, middle domain, coronavirus / Nonstructural protein 13, 1B domain, coronavirus / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Non-structural protein NSP16, coronavirus-like / Non-structural protein 14, coronavirus / RNA polymerase, N-terminal, coronavirus / Coronavirus 2'-O-methyltransferase / Coronavirus proofreading exoribonuclease / Coronavirus RNA-dependent RNA polymerase, N-terminal / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / : / Lipocalin signature. / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / Non-structural protein NSP3, SUD-N (Mac2) domain, betacoronavirus / Sarbecovirus Nsp3c-N domain profile. / Non-structural protein NSP3, N-terminal, betacoronavirus / Polyprotein cleavage domain PL2pro superfamily, betacoronavirus / Non-structural protein NSP3, SUD-N (Mac2) domain superfamily, betacoronavirus / Betacoronavirus SUD-C domain / Betacoronavirus replicase NSP3, N-terminal / NSP1 globular domain superfamily, betacoronavirus / Non-structural protein 2, SARS-CoV-like / Carbamoyl-phosphate synthase subdomain signature 2. / Betacoronavirus Nsp3c-M domain profile. / NSP1, globular domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain superfamily, betacoronavirus / Betacoronavirus replicase NSP1 / Betacoronavirus single-stranded poly(A) binding domain / NSP1, C-terminal domain, betacoronavirus / : / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / Betacoronavirus Nsp3c-C domain profile. / Betacoronavirus Nsp3e nucleic acid-binding (NAB) domain profile. / DPUP/SUD, C-terminal, betacoronavirus / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Non-structural protein NSP3, nucleic acid-binding domain superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Papain-like viral protease, palm and finger domains, coronavirus / Papain-like protease, N-terminal domain superfamily, coronavirus / Coronavirus replicase NSP2, N-terminal / : / Coronavirus replicase NSP2, C-terminal / Coronavirus (CoV) Nsp2 middle domain profile. / NSP1, globular domain, alpha/betacoronavirus / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / Nonstructural protein 2, N-terminal domain, coronavirus / Non-structural protein 2, C-terminal domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / Peptidase family C16 domain profile. / : / : / Coronavirus replicase NSP7 / Coronavirus 3Ecto domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile.
Similarity search - Domain/homology
Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.85 Å
AuthorsWilamowski, M. / Kim, Y. / Jedrzejczak, R. / Maltseva, N. / Endres, M. / Godzik, A. / Michalska, K. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: Biophys.J. / Year: 2021
Title: Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Authors: Wilamowski, M. / Hammel, M. / Leite, W. / Zhang, Q. / Kim, Y. / Weiss, K.L. / Jedrzejczak, R. / Rosenberg, D.J. / Fan, Y. / Wower, J. / Bierma, J.C. / Sarker, A.H. / Tsutakawa, S.E. / ...Authors: Wilamowski, M. / Hammel, M. / Leite, W. / Zhang, Q. / Kim, Y. / Weiss, K.L. / Jedrzejczak, R. / Rosenberg, D.J. / Fan, Y. / Wower, J. / Bierma, J.C. / Sarker, A.H. / Tsutakawa, S.E. / Pingali, S.V. / O'Neill, H.M. / Joachimiak, A. / Hura, G.L.
History
DepositionApr 10, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 22, 2020Provider: repository / Type: Initial release
Revision 2.0May 6, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Refinement description / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / entity / entity_src_gen / pdbx_poly_seq_scheme / pdbx_refine_tls_group / pdbx_unobs_or_zero_occ_residues / pdbx_validate_torsion / struct_conf / struct_conn / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _atom_site.auth_seq_id / _atom_site_anisotrop.pdbx_auth_seq_id ..._atom_site.auth_seq_id / _atom_site_anisotrop.pdbx_auth_seq_id / _entity.pdbx_fragment / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_gene_src_gene / _pdbx_poly_seq_scheme.pdb_seq_num / _pdbx_refine_tls_group.selection_details / _pdbx_unobs_or_zero_occ_residues.auth_seq_id / _pdbx_validate_torsion.auth_seq_id / _struct_conf.beg_auth_seq_id / _struct_conf.end_auth_seq_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr2_auth_seq_id / _struct_ref.db_code / _struct_ref.db_name / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref.pdbx_seq_one_letter_code / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_auth_seq_align_beg / _struct_ref_seq.pdbx_auth_seq_align_end / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq.seq_align_beg
Revision 2.1Jan 27, 2021Group: Structure summary / Category: entity / entity_name_com / Item: _entity.pdbx_description
Revision 2.2Jul 28, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 2.3Aug 25, 2021Group: Database references / Category: citation / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.4Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.5Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Non-structural protein 7
B: Non-structural protein 8


Theoretical massNumber of molelcules
Total (without water)23,0372
Polymers23,0372
Non-polymers00
Water00
1
A: Non-structural protein 7
B: Non-structural protein 8

A: Non-structural protein 7
B: Non-structural protein 8


Theoretical massNumber of molelcules
Total (without water)46,0734
Polymers46,0734
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation4_555x,-y,-z1
Buried area7940 Å2
ΔGint-83 kcal/mol
Surface area19430 Å2
MethodPISA
Unit cell
Length a, b, c (Å)52.153, 70.782, 115.455
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2

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Components

#1: Protein Non-structural protein 7 / nsp7 / SARS-CoV-2 NSP7


Mass: 9521.062 Da / Num. of mol.: 1 / Fragment: UNP residues 3860-3942
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: P0DTD1
#2: Protein Non-structural protein 8 / nsp8 / SARS-CoV-2 NSP8


Mass: 13515.529 Da / Num. of mol.: 1 / Fragment: C-terminal domain (UNP residues 4019-4140)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: P0DTD1
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.31 Å3/Da / Density % sol: 46.81 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 0.1 M Tris, pH 8.5, 1.5 M ammonium phosphate dibasic

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Apr 9, 2020
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.85→50 Å / Num. obs: 5144 / % possible obs: 97.9 % / Redundancy: 6.7 % / Biso Wilson estimate: 105.9 Å2 / CC1/2: 0.853 / Rmerge(I) obs: 0.13 / Net I/σ(I): 18.2
Reflection shellResolution: 2.85→2.9 Å / Rmerge(I) obs: 1.114 / Mean I/σ(I) obs: 1.01 / Num. unique obs: 235 / CC1/2: 0.468 / % possible all: 88.7

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
MOLREPphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 5F22

5f22


Resolution: 2.85→35.39 Å / SU ML: 0.2836 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 24.2918
RfactorNum. reflection% reflection
Rfree0.2523 275 5.38 %
Rwork0.2082 --
obs0.2104 5108 97.24 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 125.61 Å2
Refinement stepCycle: LAST / Resolution: 2.85→35.39 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1507 0 0 0 1507
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00121523
X-RAY DIFFRACTIONf_angle_d0.35712066
X-RAY DIFFRACTIONf_chiral_restr0.0362260
X-RAY DIFFRACTIONf_plane_restr0.0017258
X-RAY DIFFRACTIONf_dihedral_angle_d14.4321567
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.85-3.590.32291250.31212337X-RAY DIFFRACTION95.54
3.59-35.390.23841500.18752496X-RAY DIFFRACTION98.88
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.738623380534-1.42206066836-0.6188120989999.185034007392.597633448820.806468863902-0.787639413776-0.744791704904-0.6999770908060.731611049119-0.1234016564930.476234374122-0.578601361603-0.6391671271250.08517656318270.9572626513270.08206526742270.1141486231521.049708467010.05755457419550.852855549098-6.24002137853-1.99014444625-4.1449935649
28.591962571140.511807023125.572568289513.00570382252.253624815174.87957641769-0.03673312561661.33178421666-1.70270215509-2.238129421710.145861986169-1.518588902550.3416017859012.49642123137-1.315350332531.034748516270.03184794259920.1307951829381.26428462238-0.1543228514491.395595717429.41778064953-9.94039560596-2.91733755325
32.621336503933.98121537458-1.963485232738.14725927662-1.298349813562.979467566460.3481974826431.310254433170.325698879145-0.924824739838-0.609523661026-0.007617251346350.05257660887140.2022191661120.2766110015611.10461372068-0.140778322878-0.1774418101841.02334718034-0.01711313825111.094836489910.663487798358-1.69962505776-12.6578239339
43.683573656163.78774223448-1.523138319765.997659454881.456698189694.80526247809-0.7621818324390.5011260204170.563774187352-1.222875992640.5831226510172.14452763821-1.434036054550.1794958874870.2905059774890.988986614191-0.0991661678252-0.1293243500581.29177603390.1056897737761.46494417591-6.96832339274-7.66695562962-12.640173926
55.277474585070.800391563795-4.92774976750.129720977961-0.7628429856554.76677794319-1.107786548780.921974491423-1.84958248163-1.04118615757-0.1371796811130.8459600298210.1687936102710.4219180351161.378984389491.478542463320.0201884601151-0.1740865731160.8537525509520.325574414871.371244887970.248517093824-19.5371709151-2.95356641134
66.161053372350.200297381417-3.988104849864.056318092612.305333502534.33764100096-0.4112225380610.0701342580499-0.875374680933-0.627957829142-2.390067313130.120651071856-1.16998334995-1.402737769981.69018317991.68865403201-0.1011085120420.2733210538691.54461917824-0.3175904239341.51855219194-12.1862791659-18.82033131577.52745136562
75.35808415139-0.206586419661-1.73846147046.26374346085-0.6947789018089.75403924606-0.778457904396-0.617315702059-0.735255760030.610479090279-0.2701874979961.25640802345-0.453268006987-1.069405946020.3423472046220.9339484616690.05778441360580.07895404608620.919591167376-0.1497551665221.19655737283-5.12704675763-9.764429705075.19037014423
82.76119832874-1.925171296110.8837681542932.292800333130.7810530891582.209147034410.5957269261240.997791724877-0.746778506451-0.7879424973290.3798230751992.73215099760.957726443137-1.95083185429-0.664261359990.9810663837050.02678630061170.169851159211.12194406419-0.1733991613971.33678707576-13.6254187718-16.0317293454-8.78608256022
94.43360743536-1.27378444294-1.136414413523.731624258674.017674201284.292184781790.719000451393-0.819623824124-0.2841292125750.502801330438-0.4642819126440.5765691000730.3547860214461.37496405553-0.2629391675670.827325037885-0.1012167103340.09522546445920.932135937463-0.03020311491551.09497356043-3.67611242432-20.0309633867-16.6425906379
102.48899884047-0.9993858805093.038380525652.336382926831.011491561086.64154925828-0.03434499935230.01951152649852.501227747680.2089090592940.6410578226652.76208636194-0.751381615324-1.15521278845-0.8362636524881.00242047088-0.3576952631970.3249845809641.45085804177-0.4438419103571.97445857363-14.0947975455-30.7138837122-15.725098691
113.28364365494-3.48899517842-3.23079908578.17939464931-1.585767492058.619002121030.4657384659920.0408278453022-0.426225779004-0.947792741869-0.37121169217-1.614373980981.62611661566-1.40984558767-0.5503169410531.11502689644-0.26773637592-0.06357508493111.39320453235-0.1792283361691.17096016488-12.3557809569-22.2551856931-21.426571287
121.47506369341-3.072518651990.05439301826717.67851986189-3.141964895926.18217222010.4055622643292.03154486295-0.578333477666-2.59068501988-0.692975604516-0.123578011899-0.354206494818-0.446081648429-0.3141349204951.41662805952-0.0435276327443-0.1134239265771.72824739384-0.3414423752441.55923535341-5.20679140241-24.1754667286-24.9960003843
134.78122501033-1.475551282194.446002451332.9788918059-3.27488275825.561031484533.198450517941.98456789805-5.018790934092.640422767011.44050052190.646086631919-0.9637036136091.62443918204-4.329056346772.126171961430.1465817097340.5192940374881.49192232317-0.6297176848842.567735278254.21341212974-35.7175819707-18.0932994624
143.51376726251-4.13363180573-2.956900642858.18344572262-2.11213170072.00183354857-0.5681329111151.91028566428-1.57213643372-3.493283895251.96707123087-1.558988956930.8324022327252.23946261525-1.007176438381.30455704957-0.0826603336927-0.587907111921.03514267897-2.085314776721.31653134023-4.01706807084-35.3725133752-26.1282274858
154.964620914951.80529687905-1.102962535158.98859586786-8.451078257838.01841656203-0.4521559340081.10811973584-2.611495074790.6194754650683.98078178368-3.09444013509-0.8051657090010.71880353284-0.5945003104471.86520389130.2382862924110.1284729152482.2326126144-0.7818823366122.06011700958-11.540933886-39.9784264911-20.9584904224
164.998423096971.1324183925-2.166859103366.85048202791-2.661648740131.64140055120.00140097663453-0.364300729761-3.178262210422.911722389721.27677332856-2.357016307890.832774893170.40294274744-1.334372939841.797793118390.377733542248-0.7296814901620.845802951774-0.2750819553341.92514643633-5.87067263625-39.4596721183-15.4298060029
175.60220339549-1.969488489530.3233231410716.16621778305-6.462001073237.333694778610.9177732100051.09820178746-0.8359986896070.423985669490.460972989691-0.890298211141-0.947512083213.03427372029-0.8812461713631.74529123306-0.425793899878-0.4194179951471.75648865777-0.3678240407470.93606529771-4.15553422531-22.3003481357-22.3593666104
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 19 )
2X-RAY DIFFRACTION2chain 'A' and (resid 20 through 25 )
3X-RAY DIFFRACTION3chain 'A' and (resid 26 through 44 )
4X-RAY DIFFRACTION4chain 'A' and (resid 45 through 60 )
5X-RAY DIFFRACTION5chain 'A' and (resid 61 through 67 )
6X-RAY DIFFRACTION6chain 'A' and (resid 68 through 79 )
7X-RAY DIFFRACTION7chain 'B' and (resid 77 through 98 )
8X-RAY DIFFRACTION8chain 'B' and (resid 99 through 111 )
9X-RAY DIFFRACTION9chain 'B' and (resid 112 through 134 )
10X-RAY DIFFRACTION10chain 'B' and (resid 135 through 141 )
11X-RAY DIFFRACTION11chain 'B' and (resid 142 through 152 )
12X-RAY DIFFRACTION12chain 'B' and (resid 153 through 160 )
13X-RAY DIFFRACTION13chain 'B' and (resid 161 through 165 )
14X-RAY DIFFRACTION14chain 'B' and (resid 166 through 170 )
15X-RAY DIFFRACTION15chain 'B' and (resid 171 through 175 )
16X-RAY DIFFRACTION16chain 'B' and (resid 176 through 183 )
17X-RAY DIFFRACTION17chain 'B' and (resid 184 through 191 )

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