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- PDB-6wqd: The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and... -

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Basic information

Entry
Database: PDB / ID: 6wqd
TitleThe 1.95 A Crystal 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


Maturation of replicase proteins / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Transcription of SARS-CoV-2 sgRNAs / host cell endosome / suppression by virus of host viral-induced cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Translation of Replicase and Assembly of the Replication Transcription Complex / 5'-3' RNA helicase activity / RNA phosphodiester bond hydrolysis, exonucleolytic / Lyases; Phosphorus-oxygen lyases / modulation by virus of host autophagy ...Maturation of replicase proteins / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Transcription of SARS-CoV-2 sgRNAs / host cell endosome / suppression by virus of host viral-induced cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Translation of Replicase and Assembly of the Replication Transcription Complex / 5'-3' RNA helicase activity / RNA phosphodiester bond hydrolysis, exonucleolytic / Lyases; Phosphorus-oxygen lyases / modulation by virus of host autophagy / mRNA methylation / double membrane vesicle viral factory outer membrane / suppression by virus of host translation / ISG15-specific protease activity / host cell Golgi apparatus / Replication of the SARS-CoV-2 genome / suppression by virus of host type I interferon production / host cell endoplasmic reticulum / SARS coronavirus main proteinase / induction by virus of catabolism of host mRNA / cytoplasmic viral factory / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / 3'-5'-exoribonuclease activity / G-quadruplex RNA binding / host cell endoplasmic reticulum-Golgi intermediate compartment / suppression by virus of host ISG15-protein conjugation / protein K48-linked deubiquitination / suppression by virus of host toll-like receptor signaling pathway / suppression by virus of host viral-induced cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / transcription, RNA-templated / suppression by virus of host NF-kappaB cascade / viral transcription / modulation by virus of host protein ubiquitination / protein K63-linked deubiquitination / methyltransferase cap1 / positive stranded viral RNA replication / protein autoprocessing / cysteine-type peptidase activity / viral genome replication / mRNA (nucleoside-2'-O-)-methyltransferase activity / suppression by virus of host TRAF activity / helicase activity / ubiquitinyl hydrolase 1 / DNA helicase / thiol-dependent deubiquitinase / DNA helicase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell perinuclear region of cytoplasm / viral protein processing / RNA helicase / induction by virus of host autophagy / endonuclease activity / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed 5'-3' RNA polymerase activity / suppression by virus of host type I interferon-mediated signaling pathway / transcription, DNA-templated / host cell cytoplasm / protein dimerization activity / : / protein homodimerization activity / zinc ion binding / integral component of membrane / ATP binding / identical protein binding / cytosol
Similarity search - Function
RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Nonstructural protein 14, betacoronavirus / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Nonstructural protein 14, betacoronavirus / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Viral (Superfamily 1) RNA helicase / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 13, 1B domain, coronavirus / Non-structural protein NSP15, middle domain superfamily / Coronavirus replicase NSP15, N-terminal oligomerisation / Non-structural protein NSP15, N-terminal domain superfamily, coronavirus / Coronavirus proofreading exoribonuclease / Coronavirus 2'-O-methyltransferase / Coronavirus replicase NSP15, middle domain / Coronavirus RNA-dependent RNA polymerase, N-terminal / Coronavirus replicase NSP15, N-terminal oligomerisation / Non-structural protein NSP16, coronavirus-like / Non-structural protein 14, coronavirus / RNA polymerase, N-terminal, coronavirus / Coronavirus replicase NSP15, middle domain / Coronaviridae zinc-binding (CV ZBD) domain profile. / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Sarbecovirus Nsp3c-N domain profile. / Non-structural protein NSP1 superfamily, betacoronavirus / Non-structural protein NSP3, SUD-N (Mac2) domain superfamily, betacoronavirus / Non-structural protein NSP3, N-terminal, betacoronavirus / Polyprotein cleavage domain PL2pro superfamily, coronavirus / Non-structural protein 2, SARS-CoV-like / Betacoronavirus replicase NSP3, N-terminal / Betacoronavirus SUD-C domain / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / NendoU domain, nidovirus / Endoribonuclease EndoU-like / Carbamoyl-phosphate synthase subdomain signature 2. / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / (+)RNA virus helicase core domain profile. / (+) RNA virus helicase core domain / Betacoronavirus Nsp3c-M domain profile. / Non-structural protein NSP3, SUD-M domain superfamily, betacoronavirus / Betacoronavirus replicase NSP1 / Betacoronavirus single-stranded poly(A) binding domain / Non-structural protein NSP3, SUD-M domain, betacoronavirus / Non-structural protein NSP1, betacoronavirus / Coronavirus (CoV) Nsp1 globular domain profile. / Betacoronavirus Nsp3e nucleic acid-binding (NAB) domain profile. / Betacoronavirus Nsp3c-C domain profile. / DPUP/SUD, C-terminal, betacoronavirus / Non-structural protein 6, betacoronavirus / Replicase polyprotein, nucleic acid-binding domain superfamily / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Non-structural protein NSP3A domain-like superfamily / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Papain-like protease, N-terminal domain superfamily, coronavirus / Lipocalin signature. / Papain-like viral protease, palm and finger domains, coronavirus / Nonstructural protein 2, N-terminal domain, coronavirus / Coronavirus replicase NSP2, N-terminal / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus replicase NSP2, C-terminal / Coronavirus Nsp4 C-terminal (Nsp4C) domain profile. / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Papain-like protease, thumb domain superfamily, coronavirus / Peptidase family C16 domain profile. / Coronavirus replicase NSP7 / Non-structural protein NSP7, coronavirus / Coronavirus endopeptidase C30 / Coronavirus papain-like peptidase / Coronavirus replicase NSP8 / Coronavirus RNA synthesis protein NSP10 / RNA synthesis protein NSP10, coronavirus / Non-structural protein 6, coronavirus / Coronavirus replicase NSP4, N-terminal / Coronavirus replicase NSP3, C-terminal / Non-structural protein NSP9, coronavirus / Coronavirus replicase NSP3, C-terminal / Coronavirus replicase NSP4, N-terminal / Non-structural protein NSP4, C-terminal, coronavirus / Coronavirus replicase NSP4, C-terminal / RNA synthesis protein NSP10 superfamily, coronavirus / Non-structural protein NSP9 superfamily, coronavirus / Non-structural protein NSP7 superfamily, coronavirus / Peptidase C30, coronavirus / Non-structural protein NSP8 superfamily, coronavirus / Non-structural protein NSP4, C-terminal superfamily, coronavirus / Peptidase C16, coronavirus / Coronavirus main protease (M-pro) 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: 1.95 Å
AuthorsKim, Y. / Wilamowski, M. / 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 28, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 6, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 27, 2021Group: Structure summary / Category: entity / entity_name_com / Item: _entity.pdbx_description
Revision 1.2Jul 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 1.3Aug 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

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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
C: Non-structural protein 7
D: Non-structural protein 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,2597
Polymers46,0734
Non-polymers1863
Water1,51384
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7630 Å2
ΔGint-70 kcal/mol
Surface area18700 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)47.261, 55.103, 84.397
Angle α, β, γ (deg.)90.000, 90.382, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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


Mass: 9521.062 Da / Num. of mol.: 2 / 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 / Plasmid: pMCSG53 / 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.: 2 / 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 / Plasmid: pMCSG120 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: P0DTD1
#3: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 84 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 2.39 Å3/Da / Density % sol: 48.43 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, 20% w/v PEG8000

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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 23, 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: 1.85→50 Å / Num. obs: 30923 / % possible obs: 97.3 % / Redundancy: 8.7 % / Biso Wilson estimate: 38.62 Å2 / CC1/2: 0.962 / Rmerge(I) obs: 0.188 / Net I/σ(I): 22.5
Reflection shellResolution: 1.95→1.98 Å / Redundancy: 2.2 % / Rmerge(I) obs: 1.15 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 1220 / CC1/2: 0.456 / % possible all: 77.9

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
MOLREPphasing
REFMAC5.5refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 6WIQ
Resolution: 1.95→41.12 Å / SU ML: 0.2907 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 29.6433
RfactorNum. reflection% reflection
Rfree0.2287 1561 5.08 %
Rwork0.1866 --
obs0.1887 30700 96.16 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 53.15 Å2
Refinement stepCycle: LAST / Resolution: 1.95→41.12 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2935 0 12 84 3031
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00793027
X-RAY DIFFRACTIONf_angle_d0.82874112
X-RAY DIFFRACTIONf_chiral_restr0.0515518
X-RAY DIFFRACTIONf_plane_restr0.0049515
X-RAY DIFFRACTIONf_dihedral_angle_d16.3641121
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.95-2.010.41441180.32631977X-RAY DIFFRACTION73.05
2.01-2.080.33261270.29092401X-RAY DIFFRACTION88.55
2.08-2.170.30841670.24172664X-RAY DIFFRACTION97.39
2.17-2.270.29291490.22012749X-RAY DIFFRACTION99.62
2.27-2.380.25471450.20522716X-RAY DIFFRACTION100
2.38-2.530.29021340.20212766X-RAY DIFFRACTION99.72
2.53-2.730.25781320.1962744X-RAY DIFFRACTION99.72
2.73-30.24911440.20562766X-RAY DIFFRACTION100
3-3.440.24531430.20742766X-RAY DIFFRACTION99.9
3.44-4.330.20641580.1742752X-RAY DIFFRACTION99.9
4.33-41.120.17471440.14962838X-RAY DIFFRACTION99.53
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.40332978246-0.295928301859-1.060573750466.734543587573.644234193163.906805634630.1034162745790.543085080401-0.091082249849-0.873591961563-0.2683781682440.1518137818530.2617885423730.2738327767970.01190734380510.5065316929260.05130693040690.07241981574520.3890457608160.04757773144410.33415429881615.0081101702-0.538548941078-4.91145247404
25.95214830614-3.745610351694.358564382545.76253942284-5.825065170595.97923051467-0.2260600291220.3418546608813.336666558731.49800773147-0.7395809975440.477485801495-3.324578870021.149196041110.9520271593981.45762461832-0.09161100089950.1689111838180.486189217641-0.01436251261511.0424304898412.5461613315.94398861841.61520799468
38.098672177-1.10426431701-0.2754502428659.689779403110.005486715377767.657135207280.328938889284-0.2233443073540.09948426607981.07953142579-0.602527079021-0.91326582875-0.0230450867911.580459657250.1450314550940.363678795017-0.02225768734470.01425355709940.5781629439490.05973554215210.37872948366321.70183540373.621636239763.11280166206
46.71998639814-2.56554203583-2.053708992182.287849986860.987891901737.66405898478-0.104111963834-0.55506522559-0.05652969290070.3659620546870.0997281420923-0.3729374839550.4347762106191.056433442230.07825300871580.4680557678930.05928820692370.06681922101460.3878479332710.07725098395690.30852274932914.7876566734-2.854350821364.97964585763
56.613063994093.50970575667-1.174927762469.11838274712-0.377774814660.7599310277240.3143697584791.52818643595-0.2869980210430.9554971831950.7360492343661.46615350766-0.267694541012-1.64393519635-0.7795186492310.6902897387430.1201087860630.1220330444721.123044045910.1074711651320.9150632429790.2801925167345.854999669892.61489692293
66.14187404653-4.612418996092.532838464144.82905888634-3.781152222743.68700543510.06525400036470.0591386265843-0.142656453694-0.102864006636-0.2300198738960.3703930918010.420552557806-0.1128702143020.1308933352980.388187368798-0.01335681473810.04862334465910.329341470224-0.0206576966760.3074967439474.804216734413.39740659106-7.76846577474
77.66915808864-3.99190603065-2.786651808723.553127104364.00002598168.121910344070.01491251492360.161395870063-0.9136881043870.180160205561-0.1793362543661.038083806331.08171458298-0.7493098377650.1783710001210.505336142178-0.09147896912330.06893586521510.3181112509430.01240074336220.4324756987613.59897946753-6.30106414226.03843606802
82.17274939572-0.6078552356391.004997219553.500546741410.179776490634.9657230089-0.396209987059-0.5880985319790.3428194283980.5508685222180.277550163301-0.129896610602-0.2760145999950.0409185886720.0967834862340.4673090666550.02100353355980.007309616353760.3990716381550.03791763326450.44153975439611.84625553770.3215573182814.9412368089
92.64014071817-2.2230371535-0.382910027162.84773392982-1.224393101072.394434461440.7485072957920.2448538311271.059014341340.301757345404-0.580707101710.249717612882-0.270779339101-0.267696369485-0.0863510426570.3932944729870.03203170928160.01735464957250.308014405135-0.06028852664040.3653058285993.546332536212.2637503356917.9721852116
106.70104073036-6.09637325161-2.57046447838.614912433313.474164070665.30103578074-0.002496422187790.1137369122410.1454930658470.700843948314-0.264463679050.2660699909110.596399345844-0.3060931650130.1863458692730.534223643366-0.02375584448540.06883379102080.327574096111-0.04524013231630.439960672929-5.47625776384-5.409029254518.8641554665
119.20738312366-1.53055691011-4.016198661235.017217436490.7566469866678.94085690727-0.659486683583-0.770712123941-0.9958968016680.827005213789-0.4025286636410.299588635770.6590947040160.05484817338611.160527864030.598961585401-0.05184857129240.1077138237420.3588719445620.01874351722770.3893632261184.7365241223-7.7825515029319.5890920374
129.07904421268-6.35282236401-3.949056309969.152708652114.42262884969.77553180608-0.252557275979-0.8962099820530.04593773461280.9059755637690.163405797006-0.17173841326-0.02271936099430.712457373305-0.0004109374670740.409945832493-0.09231247801170.00952070071280.5237728952350.004287092441530.34673861247.5892015874-2.6873603044323.9906692603
137.43236006871-0.710781013722-0.1390319613453.60334247265-0.1392057799587.022182135520.00107458165582-1.048155264390.3761461378770.7552123886970.0188298041495-0.510548424047-1.013066501610.842403986003-0.04892644053510.786015361248-0.05845495302540.1298445362340.528968033612-0.1211861673210.444762182067-2.693056363214.3548426878728.868217754
145.50830018576-1.08806508682-0.8264917216131.644316823231.017972146283.166911480540.0148695594957-0.1933149800330.06157619080910.299859286297-0.06813901515580.213727362793-0.345803724987-0.342057639431-0.04737063298070.5464637407440.007516443527990.08897617593550.394189484906-0.05575443167870.342705962315-3.700747111451.6719760512723.880151785
156.86854531887-6.069082624445.993304968038.8198165671-4.19515428268.953630113530.9927738803921.21247924146-0.7750490372281.64505476297-0.9148150271560.1471030628321.806848144171.655792560340.2103616052281.005079418550.0827300950517-0.1278968072080.6364553036380.02819031806150.96920965612420.288356585-13.516432664926.88762424
164.25804795909-0.476750850343-0.3913795046333.627584167491.135597775888.278832674310.131628490334-0.569556547278-0.4124875642280.205744336624-0.218131550319-0.1098947016420.4165315404190.2396409161480.0579534784980.4734654262810.07822222208640.07796007680520.2590922464750.03509491461390.34949066870816.29667940024.15282638601-14.5154086721
177.38528128880.82293275782-2.908645886984.345936817230.1865972567125.34048159503-0.00965309209020.567327046406-0.208142344125-0.174096664217-0.008623068225080.4533595225510.209466004934-0.4299279192420.0540724907930.408916168075-0.00914347400730.008015646187650.328514620879-0.009922062338830.30214038854512.43611974526.37676279153-21.6784221766
186.495126299112.67685073722-1.087106222767.84831179735-1.018745090787.73936877587-0.631010181129-0.90565684049-1.00399506139-0.472242863775-0.0961149811871-2.434841603870.2858989219880.9949147995950.7678546019310.6218650838680.1412861934680.1777589464710.9872335696760.036965152140.84931774985731.02700653011.02865021805-20.1413478734
197.182083700234.905020819894.269924555637.918004825611.427662208753.55216702806-0.146706186203-0.223252715915-0.45774513579-0.02125108828180.00633022254636-0.4786546628690.6330792992240.7336000415540.1717612517220.5577573699470.1217232879210.1853652704540.5901499384740.07644448693730.4079610661724.2625040258-2.03396216428-11.2901496808
203.644412757883.45280065964-1.149677608183.80920635808-0.9915421319786.861347076-0.4789264807880.263181939425-1.46467409513-0.1780817106940.134346722381-0.1225317382561.561087937740.365322118570.2706112474950.9129340642640.1002828046440.1724199731490.336808788677-0.02076808150560.49997978118422.1769945412-6.27675919227-26.6052620226
217.60565090772-0.206774216542-2.199946667693.09797291123-0.4681353039525.44708270843-0.07513809466830.0312421366619-0.246611433221-0.298718711737-0.069016175354-0.2433788041530.2616409599130.2534820207760.1778421660480.5917711793010.01354361105770.1104037876380.410651921863-0.0124929890350.35939546897925.09567835391.92979484946-35.6515053339
227.064062165092.78398005082-3.518563505943.14287626376-3.469229532986.56759049013-0.1980925102840.242017414135-0.499336857083-0.499386673704-0.2357483244380.01346593378790.984806284317-0.4186387094810.4190514649190.760172197953-0.02754297484180.1220906691240.493921583486-0.1055684880140.39377700361622.05754605970.308679147509-41.2762969687
235.48269938617-1.98040720665-0.9785245238652.35055882780.290152731215.64612381544-0.1407713327-0.148314882589-0.232535425584-0.3997182979660.0246212237308-0.174729704529-0.03261940976950.8671092252870.1108652266670.585845948849-0.01961986631690.1160623567780.501938394751-0.05254405670110.3384263840232.97099165163.16731942198-43.4110186357
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid -2 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 71 )
6X-RAY DIFFRACTION6chain 'B' and (resid 78 through 98 )
7X-RAY DIFFRACTION7chain 'B' and (resid 99 through 112 )
8X-RAY DIFFRACTION8chain 'B' and (resid 113 through 126 )
9X-RAY DIFFRACTION9chain 'B' and (resid 127 through 134 )
10X-RAY DIFFRACTION10chain 'B' and (resid 135 through 141 )
11X-RAY DIFFRACTION11chain 'B' and (resid 142 through 151 )
12X-RAY DIFFRACTION12chain 'B' and (resid 152 through 160 )
13X-RAY DIFFRACTION13chain 'B' and (resid 161 through 173 )
14X-RAY DIFFRACTION14chain 'B' and (resid 174 through 190 )
15X-RAY DIFFRACTION15chain 'B' and (resid 191 through 198 )
16X-RAY DIFFRACTION16chain 'C' and (resid -1 through 25 )
17X-RAY DIFFRACTION17chain 'C' and (resid 26 through 60 )
18X-RAY DIFFRACTION18chain 'C' and (resid 61 through 71 )
19X-RAY DIFFRACTION19chain 'D' and (resid 79 through 98 )
20X-RAY DIFFRACTION20chain 'D' and (resid 99 through 112 )
21X-RAY DIFFRACTION21chain 'D' and (resid 113 through 141 )
22X-RAY DIFFRACTION22chain 'D' and (resid 142 through 160 )
23X-RAY DIFFRACTION23chain 'D' and (resid 161 through 192 )

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