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- PDB-6w61: Crystal Structure of the methyltransferase-stimulatory factor com... -

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Basic information

Entry
Database: PDB / ID: 6w61
TitleCrystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2.
Components
  • 2'-O-methyltransferase
  • Non-structural protein 10
KeywordsVIRAL PROTEIN / SARS Corona virus / SAM-dependent methyltransferase / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / NSP16 / NSP10 / COMPLEX
Function / homology
Function and homology information


protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs ...protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / TRAF3-dependent IRF activation pathway / snRNP Assembly / Replication of the SARS-CoV-2 genome / double membrane vesicle viral factory outer membrane / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / SARS coronavirus main proteinase / host cell endosome / 3'-5'-RNA exonuclease activity / : / host cell endoplasmic reticulum-Golgi intermediate compartment / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / SARS-CoV-2 modulates host translation machinery / omega peptidase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated perturbation of host ubiquitin-like protein modification / mRNA (nucleoside-2'-O-)-methyltransferase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / DNA helicase / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell endoplasmic reticulum membrane / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / RNA helicase / induction by virus of host autophagy / RNA-directed RNA polymerase / copper ion binding / symbiont-mediated suppression of host gene expression / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / lipid binding / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / 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
Vaccinia Virus protein VP39 / RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : ...Vaccinia Virus protein VP39 / RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / NSP12 RNA-dependent RNA polymerase, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus 2-O-methyltransferase / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Nonstructural protein 13, 1B domain, coronavirus / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / 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 / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) 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 / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / Lipocalin signature. / 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. / Coronavirus 3Ecto domain profile. / : / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / NSP1, C-terminal domain, betacoronavirus / 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 / Betacoronavirus (BetaCoV) Nsp1 C-terminal 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 superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Papain-like protease, N-terminal domain superfamily, coronavirus / Papain-like viral protease, palm and finger domains, coronavirus / : / Coronavirus (CoV) Nsp2 middle domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / NSP1, globular domain, alpha/betacoronavirus / : / Coronavirus (CoV) Nsp3 Y domain profile. / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus replicase NSP2, N-terminal / Nonstructural protein 2, N-terminal domain, coronavirus / Coronavirus replicase NSP2, C-terminal / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus
Similarity search - Domain/homology
S-ADENOSYLMETHIONINE / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsKim, Y. / Jedrzejczak, R. / Maltseva, N. / Endres, M. / Godzik, A. / 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: Biorxiv / Year: 2020
Title: The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
Authors: Rosas-Lemus, M. / Minasov, G. / Shuvalova, L. / Inniss, N.L. / Kiryukhina, O. / Wiersum, G. / Kim, Y. / Jedrzejczak, R. / Maltseva, N.I. / Endres, M. / Jaroszewski, L. / Godzik, A. / ...Authors: Rosas-Lemus, M. / Minasov, G. / Shuvalova, L. / Inniss, N.L. / Kiryukhina, O. / Wiersum, G. / Kim, Y. / Jedrzejczak, R. / Maltseva, N.I. / Endres, M. / Jaroszewski, L. / Godzik, A. / Joachimiak, A. / Satchell, K.J.F.
History
DepositionMar 15, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 25, 2020Provider: repository / Type: Initial release
Revision 1.1May 6, 2020Group: Database references / Derived calculations ...Database references / Derived calculations / Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / entity_src_gen / pdbx_related_exp_data_set / pdbx_struct_mod_residue / struct_ref / struct_ref_seq / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _entity.pdbx_description / _entity.pdbx_ec ..._entity.pdbx_description / _entity.pdbx_ec / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_gene_src_gene / _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.pdbx_auth_seq_align_beg / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq.seq_align_beg
Revision 1.2Nov 2, 2022Group: Database references / Category: citation / citation_author / database_2
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 2'-O-methyltransferase
B: Non-structural protein 10
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,2149
Polymers48,4642
Non-polymers7517
Water2,558142
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2590 Å2
ΔGint-14 kcal/mol
Surface area19420 Å2
MethodPISA
Unit cell
Length a, b, c (Å)168.564, 168.564, 51.962
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z

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Components

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Protein , 2 types, 2 molecules AB

#1: Protein 2'-O-methyltransferase / nsp16


Mass: 33529.438 Da / Num. of mol.: 1
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) / Strain (production host): BL21(DE3) / Variant (production host): Gold
References: UniProt: P0DTD1, Transferases; Transferring one-carbon groups; Methyltransferases
#2: Protein Non-structural protein 10 / nsp10


Mass: 14934.128 Da / Num. of mol.: 1
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) / Strain (production host): BL21(DE3) / Variant (production host): Gold / References: UniProt: P0DTD1

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Non-polymers , 5 types, 149 molecules

#3: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-SAM / S-ADENOSYLMETHIONINE / S-Adenosyl methionine


Mass: 398.437 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C15H22N6O5S / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 142 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 4.37 Å3/Da / Density % sol: 71.83 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5.6
Details: 0.1 M sodium citrate, pH 5.6, 10 5(w/v) PEG4000, 10 %(w/v) isopropanol

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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: Mar 10, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2→50 Å / Num. obs: 57010 / % possible obs: 100 % / Redundancy: 16.7 % / Biso Wilson estimate: 49 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.139 / Net I/σ(I): 37.1
Reflection shellResolution: 2→2.03 Å / Redundancy: 9.9 % / Rmerge(I) obs: 2.334 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 2781 / CC1/2: 0.482 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDBID 6W4H

6w4h


Resolution: 2→42.33 Å / SU ML: 0.2327 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 20.0027
RfactorNum. reflection% reflection
Rfree0.193 2933 5.16 %
Rwork0.1706 --
obs0.1718 56859 99.67 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 63.46 Å2
Refinement stepCycle: LAST / Resolution: 2→42.33 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3224 0 13 142 3379
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00183469
X-RAY DIFFRACTIONf_angle_d0.48134724
X-RAY DIFFRACTIONf_chiral_restr0.0404524
X-RAY DIFFRACTIONf_plane_restr0.0032609
X-RAY DIFFRACTIONf_dihedral_angle_d15.52982069
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.040.32651630.30362359X-RAY DIFFRACTION94.99
2.04-2.070.28391190.27622554X-RAY DIFFRACTION98.85
2.07-2.110.28641400.26982580X-RAY DIFFRACTION99.78
2.11-2.150.27211490.25282543X-RAY DIFFRACTION99.85
2.15-2.190.27291640.23992489X-RAY DIFFRACTION99.85
2.19-2.240.24361310.22722582X-RAY DIFFRACTION100
2.24-2.290.25231170.21592583X-RAY DIFFRACTION100
2.29-2.350.25551360.19992579X-RAY DIFFRACTION100
2.35-2.410.25691330.20032569X-RAY DIFFRACTION100
2.41-2.480.24391490.19432551X-RAY DIFFRACTION100
2.48-2.560.22851510.19412560X-RAY DIFFRACTION100
2.56-2.660.2031130.19632555X-RAY DIFFRACTION100
2.66-2.760.21671290.20592629X-RAY DIFFRACTION100
2.76-2.890.2031410.18892564X-RAY DIFFRACTION100
2.89-3.040.20441410.1892594X-RAY DIFFRACTION100
3.04-3.230.19261380.18632565X-RAY DIFFRACTION100
3.23-3.480.22771400.18662595X-RAY DIFFRACTION100
3.48-3.830.18511700.15342542X-RAY DIFFRACTION99.96
3.83-4.380.14181530.13582588X-RAY DIFFRACTION100
4.38-5.520.13731310.12772631X-RAY DIFFRACTION99.93
5.52-42.330.19281250.15942714X-RAY DIFFRACTION99.79
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)
11.93300626868-1.12273576634-1.121810911814.230637364811.424301718144.655206187580.1171889569720.44483926278-0.516569122913-0.173136516653-0.09980352113520.4694632365960.269505154498-0.482134393860.00356028892350.388974116965-0.0523420070403-0.1139442493930.455760473126-0.05048782918010.606864047147-70.089853516145.7538595179-7.27776950343
22.69106067812-0.525996974383-0.9954783653824.539501534361.52078608282.849297176390.4047909680940.19992097230.232689740832-0.831037624721-0.4138780189250.346869031892-0.115413865173-0.274575753515-0.01399253914790.494286758605-0.02224032244470.01395084920830.468128928289-0.02958669407920.459946494422-71.772302770361.06394250930.577241501671
34.444838919720.776032077210.1618164306613.470836919420.4930497230320.9281526007010.189509617807-0.2007806309860.2057958933590.396459950965-0.124557597399-0.125470356105-0.1181261409260.0732361434526-0.08539788572330.423022297969-0.0724895464009-0.004218605855390.423634520126-0.02970482374490.343200310975-56.415193582863.834124907410.2005609384
43.701180919331.08767270399-0.1685362305824.582144567471.221146727320.3851896509480.07663663480130.563050073574-0.0342068870413-0.4952025776660.050884002961-0.221474677651-0.3864024592950.273258096372-0.1852071706980.442633496918-0.02418962265860.003103162449590.541334293555-0.008547394230320.434316582826-51.653206531357.9709046137-4.30618808146
52.293924290650.338212938340.6321967558442.676924558550.05648126236013.055475219790.1061930995610.218995032623-0.3181465786070.1479156222920.0885704706748-0.2344898161470.1157471174910.344462838878-0.1606858949630.393066710355-0.0113922419362-0.0430050722180.43518240605-0.04128125908930.439123082965-52.368495416150.4785141032-0.881776781383
63.137363529450.2940854490050.7827802282441.995355152650.2101807463112.006998577920.1694923536390.163677263051-0.5113518951640.04338605888110.0127486650793-0.06705689458130.2751486321390.138376395663-0.1564046646180.460777841744-0.0059884185033-0.05631333409080.404530869522-0.03097921758210.466327734953-61.961403038846.6045978956-3.50480390399
73.54146312887-0.352332255915-0.1827035728453.113957667511.069602174161.627955696770.0791108138199-0.223769121608-0.03314359800420.358169491488-0.1869518701110.6518480336760.475790774161-0.3319168702020.0306791286410.403110584338-0.05551805536870.0674455982790.3810824345170.009752245589470.565514109851-77.458287262257.51251035234.44610063825
83.118168987670.4480945467842.02273703934.40238173272-1.265176529192.902163101340.104177289016-0.604054159124-1.64880798850.4489357027810.1807016357230.01146131335110.6400379077930.43111822919-0.2485200634670.749850880305-0.00215926214262-0.1655614059350.6385555445710.1472677048010.593968957961-54.464357241342.809625839218.5051074339
94.190385824583.76648762891-0.5066690195656.53345695414-2.020907953562.907194701050.373628646153-0.39877384169-0.3679475935550.510257255682-0.302900509461-0.5158611805180.09527280762830.367049699799-0.09858898935740.529276500652-0.0398566128007-0.1030153826410.5242865750940.0002276159501410.473988783888-45.372434861356.13707843913.1915674734
108.49444322681.479004910793.295931480677.68109415712-0.20720231765.811459792980.211405636192-0.6232458583210.8925132804520.437943725184-0.4535011952151.57748558002-0.2328252888690.1565039571650.1514513911460.700404903792-0.1165480007590.1762807477040.576718963073-0.1383464539091.16854214961-59.596044629994.598561728411.0803448749
113.840887201030.424271493552-0.216209832743.240719437761.877026951152.41203562553-0.1824670227280.01781768537650.5191294946550.0471565007860.0220312388060.342066140467-0.119653454674-0.1596926066870.04698302584130.506018793133-0.03790771175520.0686075071930.51307854361-0.03732655006040.631393088768-71.331888896776.357062945710.483657841
127.20334649329-2.23804627322-0.2733539485474.719856091190.4192053273414.58438399955-0.326047731761-0.9114294741010.00699913322820.9192620742410.06517438463150.6456536712250.196474140343-0.1390713239870.1890995791710.67586378349-0.1156611183670.1673660996310.577954132519-0.126154557330.597835523437-72.344605981172.235664333819.2634873947
134.938155640130.427180007738-0.8472340946636.82887548176-1.49017149391.989282877120.104088312488-0.7109486306380.7390531196670.7741870144620.0631743461111-0.673870569767-0.3172002665010.45942613468-0.1285908791620.631937286456-0.148018055484-0.01395083984490.622582463736-0.1923140912740.718275601452-56.149304238480.823399857215.4862342025
142.46435215153-0.889410211942-0.782953684553.628226831690.2360938950060.8612883478290.0707509339045-0.7093581401550.9213824375660.8135290229650.002067622830240.207512980637-0.229571901391-0.147501867208-0.03278234876320.733848860929-0.1230586741080.1292353091540.586538904181-0.2075043393090.677281097061-70.002826937881.682831712119.3887573639
157.605789506191.45896325757-4.64612340574.16747439635-1.94587628853.105733194850.0475234545951-1.576439198990.5440976574231.075599876510.1290579574630.0578936948437-0.416725450032-0.6223193476360.06400654727751.10168366490.05643704677370.218348748210.956121249312-0.3519831816930.980418253284-75.837790072484.136956369429.952428266
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 6798 through 6825 )
2X-RAY DIFFRACTION2chain 'A' and (resid 6826 through 6854 )
3X-RAY DIFFRACTION3chain 'A' and (resid 6855 through 6912 )
4X-RAY DIFFRACTION4chain 'A' and (resid 6913 through 6945 )
5X-RAY DIFFRACTION5chain 'A' and (resid 6946 through 6986 )
6X-RAY DIFFRACTION6chain 'A' and (resid 6987 through 7032 )
7X-RAY DIFFRACTION7chain 'A' and (resid 7033 through 7048 )
8X-RAY DIFFRACTION8chain 'A' and (resid 7049 through 7074 )
9X-RAY DIFFRACTION9chain 'A' and (resid 7075 through 7096 )
10X-RAY DIFFRACTION10chain 'B' and (resid 4271 through 4285 )
11X-RAY DIFFRACTION11chain 'B' and (resid 4286 through 4305 )
12X-RAY DIFFRACTION12chain 'B' and (resid 4306 through 4322 )
13X-RAY DIFFRACTION13chain 'B' and (resid 4323 through 4348 )
14X-RAY DIFFRACTION14chain 'B' and (resid 4349 through 4376 )
15X-RAY DIFFRACTION15chain 'B' and (resid 4377 through 4385 )

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