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- PDB-6x1b: Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in th... -

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Basic information

Entry
Database: PDB / ID: 6x1b
TitleCrystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU.
Components
  • DNA (5'-R(*GP*U)-3')
  • Uridylate-specific endoribonuclease
KeywordsVIRAL PROTEIN / SARS Corona virus 2 / endoribonuclease / COVID-19 / 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 / snRNP Assembly / Translation of Replicase and Assembly of the Replication Transcription Complex / 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 / SARS-CoV-2 modulates host translation machinery / mRNA (guanine-N7)-methyltransferase / 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
Nsp15 N-terminal domain-like / nsp15 middle domain / Double Stranded RNA Binding Domain / 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. ...Nsp15 N-terminal domain-like / nsp15 middle domain / Double Stranded RNA Binding Domain / 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. / : / :
Similarity search - Domain/homology
PHOSPHATE ION / RNA / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.97 Å
AuthorsKim, Y. / Maltseva, N. / Jedrzejczak, R. / Welk, L. / Endres, M. / Chang, C. / 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
Citation
Journal: Commun Biol / Year: 2021
Title: Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Authors: Kim, Y. / Wower, J. / Maltseva, N. / Chang, C. / Jedrzejczak, R. / Wilamowski, M. / Kang, S. / Nicolaescu, V. / Randall, G. / Michalska, K. / Joachimiak, A.
#1: Journal: Biorxiv / Year: 2020
Title: Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2
Authors: Kim, Y. / Wower, J. / Maltseva, N. / Chang, C. / Jedrzejczak, R. / Wilamowski, M. / Kang, S. / Nicolaescu,, N. / Randall, G. / Michalska, K. / Joachimiak, A. / Center for Structural Genomics ...Authors: Kim, Y. / Wower, J. / Maltseva, N. / Chang, C. / Jedrzejczak, R. / Wilamowski, M. / Kang, S. / Nicolaescu,, N. / Randall, G. / Michalska, K. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)
History
DepositionMay 18, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 27, 2020Provider: repository / Type: Initial release
Revision 2.0Jun 10, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Polymer sequence / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / entity / entity_name_com / entity_poly / entity_poly_seq / entity_src_gen / pdbx_poly_seq_scheme / pdbx_struct_sheet_hbond / pdbx_unobs_or_zero_occ_atoms / pdbx_unobs_or_zero_occ_residues / pdbx_validate_torsion / struct_conf / struct_ref_seq / struct_ref_seq_dif / struct_sheet_range / struct_site_gen
Item: _atom_site.auth_comp_id / _atom_site.label_comp_id ..._atom_site.auth_comp_id / _atom_site.label_comp_id / _atom_site.label_seq_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.pdbx_label_seq_id / _entity.formula_weight / _entity_name_com.name / _entity_poly.pdbx_seq_one_letter_code / _entity_poly.pdbx_seq_one_letter_code_can / _entity_src_gen.pdbx_end_seq_num / _pdbx_struct_sheet_hbond.range_1_label_seq_id / _pdbx_struct_sheet_hbond.range_2_label_seq_id / _pdbx_validate_torsion.auth_comp_id / _struct_conf.beg_label_seq_id / _struct_conf.end_label_seq_id / _struct_ref_seq.seq_align_beg / _struct_ref_seq.seq_align_end / _struct_sheet_range.beg_label_seq_id / _struct_sheet_range.end_label_seq_id / _struct_site_gen.label_seq_id
Revision 2.1Aug 5, 2020Group: Database references / Structure summary / Category: audit_author / citation_author
Revision 2.2Dec 9, 2020Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.pdbx_database_id_DOI / _citation.title / _citation.year
Revision 2.3Jan 27, 2021Group: Structure summary / Category: entity / entity_name_com / Item: _entity.pdbx_ec / _entity_name_com.name
Revision 2.4Feb 24, 2021Group: Database references / Category: citation / citation_author
Revision 2.5Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model
Item: _citation.journal_id_ISSN / _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: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
D: DNA (5'-R(*GP*U)-3')
F: DNA (5'-R(*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)84,9039
Polymers84,5274
Non-polymers3765
Water7,782432
1
A: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
D: DNA (5'-R(*GP*U)-3')
F: DNA (5'-R(*GP*U)-3')
hetero molecules

A: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
D: DNA (5'-R(*GP*U)-3')
F: DNA (5'-R(*GP*U)-3')
hetero molecules

A: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
D: DNA (5'-R(*GP*U)-3')
F: DNA (5'-R(*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)254,71027
Polymers253,58212
Non-polymers1,12815
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_565-y,x-y+1,z1
crystal symmetry operation3_455-x+y-1,-x,z1
Buried area25700 Å2
ΔGint-182 kcal/mol
Surface area83200 Å2
MethodPISA
Unit cell
Length a, b, c (Å)150.875, 150.875, 111.730
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number173
Space group name H-MP63
Space group name HallP6c
Symmetry operation#1: x,y,z
#2: x-y,x,z+1/2
#3: y,-x+y,z+1/2
#4: -y,x-y,z
#5: -x+y,-x,z
#6: -x,-y,z+1/2

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Components

#1: Protein Uridylate-specific endoribonuclease / pp1ab / ORF1ab polyprotein / NendoU / Non-structural protein 15 / nsp15


Mass: 41657.238 Da / Num. of mol.: 2
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, Hydrolases; Acting on ester bonds
#2: RNA chain DNA (5'-R(*GP*U)-3')


Mass: 606.414 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Chemical ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO4
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


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


Mass: 18.015 Da / Num. of mol.: 432 / Source method: isolated from a natural source / Formula: H2O
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: 4.63 Å3/Da / Density % sol: 73.46 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.2
Details: 0.2 M sodium chloride, 0.1 M sodium/potassium phosphate pH 6.2 10 %(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: 0.9792 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: May 11, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
Reflection twinOperator: -k,-h,-l / Fraction: 0.41
ReflectionResolution: 1.97→49.39 Å / Num. obs: 102091 / % possible obs: 100 % / Redundancy: 6.2 % / CC1/2: 0.972 / Rmerge(I) obs: 0.155 / Net I/σ(I): 16
Reflection shellResolution: 1.97→2 Å / Redundancy: 4.8 % / Rmerge(I) obs: 1.452 / Mean I/σ(I) obs: 1.3 / Num. unique obs: 5100 / CC1/2: 0.373 / % possible all: 99.8

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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: 6VWW

6vww


Resolution: 1.97→49.39 Å / Cross valid method: FREE R-VALUE / σ(F): 1.41 / Phase error: 33.8271
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1846 5021 4.94 %
Rwork0.1566 96700 -
obs0.1649 101721 99.64 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 47.79 Å2
Refinement stepCycle: LAST / Resolution: 1.97→49.39 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5482 0 102 432 6016
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00175763
X-RAY DIFFRACTIONf_angle_d0.40527834
X-RAY DIFFRACTIONf_chiral_restr0.0427899
X-RAY DIFFRACTIONf_plane_restr0.0027995
X-RAY DIFFRACTIONf_dihedral_angle_d17.74292113
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.97-20.30182710.27444673X-RAY DIFFRACTION91.36
2-2.040.26392470.26024740X-RAY DIFFRACTION93.15
2.04-2.080.25582270.24444805X-RAY DIFFRACTION94.41
2.08-2.120.26092480.24284805X-RAY DIFFRACTION94.8
2.12-2.170.22022250.23384838X-RAY DIFFRACTION95.33
2.17-2.220.24562690.22454846X-RAY DIFFRACTION94.67
2.22-2.270.24742930.224766X-RAY DIFFRACTION94.2
2.27-2.330.23912270.2184861X-RAY DIFFRACTION95.52
2.33-2.40.23312110.21184894X-RAY DIFFRACTION95.87
2.4-2.480.21772600.21034823X-RAY DIFFRACTION94.88
2.48-2.570.21663010.20614798X-RAY DIFFRACTION94.1
2.57-2.670.24482970.20164790X-RAY DIFFRACTION94.16
2.67-2.790.23282640.19834837X-RAY DIFFRACTION94.82
2.79-2.940.21892710.18444819X-RAY DIFFRACTION94.68
2.94-3.130.19852420.1794870X-RAY DIFFRACTION95.27
3.13-3.370.2042200.16494878X-RAY DIFFRACTION95.65
3.37-3.710.17092710.1444835X-RAY DIFFRACTION94.69
3.71-4.240.14562150.12944926X-RAY DIFFRACTION95.82
4.24-5.340.11322010.10564946X-RAY DIFFRACTION96.09
5.34-49.390.16782480.1374963X-RAY DIFFRACTION95.21
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)
10.9090068473370.4429852051580.5611299427681.350219955580.8503914517951.265839857450.1119287598370.0605651800987-0.3012216443660.0527278295680.0533900447543-0.2661697334870.1534904881820.108483669162-0.1316860777850.2131783943830.0124107615507-0.01644229955730.212102578024-0.0181856652850.591050196434-60.027558839124.8027087666-14.3451705481
21.7105582249-0.4398712520981.342817241152.33673802418-1.21648643063.389593768820.2163018369690.165837043546-0.08950385747380.252400814411-0.184837971687-0.0370699389450.03154104441840.204922776973-0.04582027238620.288381727622-0.0112651982176-0.03978419257730.199770013501-0.04446160106710.801520698234-71.015501720413.8566744806-27.7594381389
31.51596877477-0.14780958584-0.03675809902561.241864427450.5052467274831.204278194090.02444503443480.147687060312-0.038292242132-0.330434409693-0.06761278223610.1352134733-0.120910226943-0.01265442831360.04546427918270.3450417849680.0202536336711-0.03704683302840.197209480965-0.0153756036730.504562325971-85.658923118421.7959415183-35.9902209106
47.70736059418-2.4874098312-0.8266120241044.6092312572-0.8380384389730.5064153353650.104969957929-0.238734358466-0.0748741829377-0.09611461497660.008529543489030.744296001823-0.162920848459-0.41730385539-0.01012533552990.3020016690140.0009432206227050.04773475191370.2040425164180.0003053050668870.59418555193-91.221162927212.0072347114-30.7506933381
52.041018479450.976228153272.189453454950.4727837448350.9557451507563.754855007870.358355854438-0.0926196830439-0.1981613776190.0596502765375-0.03860239898290.3899995259360.164868252315-0.345576407898-0.1791130731290.5937741395610.0600853994148-0.07673724167560.426952644556-0.091205322951.5346216016-96.490409413318.1962670348-26.4616093995
62.98146922699-1.131492345061.391276872092.3024217692-0.990081231961.9434133806-0.0584923498543-0.006368773382210.04068600413720.1262873246580.01662807447860.185392587447-0.0716644381151-0.102584539310.05329971293750.214038986997-0.001043907184410.0323037435030.1670820018120.003639457567860.444216702161-82.715978934727.894804212511.2995405609
70.430594855013-0.2322593792710.1214480261731.44332149945-1.159866577582.10325584670.0809195448579-0.00458906961608-0.2068083615-0.127582112567-0.02271180223180.06282200818450.233547726715-0.0111862849584-0.05579724604530.269017825464-0.00981697355692-0.02362475670250.2019526459520.01034232002560.611286000425-74.459868748510.131654260515.0558751775
81.457808196440.8672711982830.1515833133041.523886150651.168932593792.75772195440.194744804321-0.26873034352-0.1525637534950.2316347420680.0604762781266-0.3626551917020.1226067602920.0611151150006-0.2682677620440.2835211581340.0117213131536-0.02500076310410.2355722307450.09003421233020.549166166072-67.531265403415.379245328228.5212288707
93.231966145291.90609084006-2.300523502683.62081200743-0.02853582595992.471610184840.477647626299-1.170864127320.3896554998380.919889450773-0.100336142171-0.401972750305-0.05960618224560.60371905596-0.3075496745030.688756510019-0.0829401174526-0.1874456996190.516627371573-0.02724076840420.613214621911-54.014323254427.904173351546.5068019062
108.170874661023.994061334380.3191310834317.37248746587-0.4970460256944.212505824440.261211997479-0.7628338239070.5742363115520.758289813682-0.242819564602-0.512834339395-0.0282908014333-0.05525487719710.05677665506750.388079817278-0.0188070476453-0.09191751045650.292159955005-0.04262411706750.455031126852-55.117353979437.506351043236.2520895962
111.372758152131.219768273750.8822004077881.085818293380.8881271180882.875666356620.0506229326038-0.156859595018-0.1988307495320.03206658117340.0497857587378-0.5018743045710.2799945223160.133865644104-0.06630297391680.2702345831970.0102967568867-0.05913510963220.2557186236310.03614479180730.555134364218-54.745190850228.782942764429.6347642751
126.585331126373.267601968341.493087283247.669670047031.022514355555.15603428412-0.2529106276220.4095565504080.214424498203-0.06835800422530.418461557269-1.06931096439-0.4976631146831.02294578395-0.04939385950630.288005997991-0.01688927693070.03816958522820.3812036080350.009825257480760.719165513597-45.729890186224.713103059229.9692687894
132.239487817321.646299834292.034022095489.555537484842.758044460386.985754005120.743319168763-0.3598633131141.067613923760.1178229583490.208279436892-1.04309958053-0.4749446654940.595661761665-0.885859645020.840482552551-0.0285301005964-0.1098770247470.718409055127-0.08362873501861.35015377394-44.201488073232.593663912225.8200433368
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 183 )
2X-RAY DIFFRACTION2chain 'A' and (resid 184 through 203 )
3X-RAY DIFFRACTION3chain 'A' and (resid 204 through 325 )
4X-RAY DIFFRACTION4chain 'A' and (resid 326 through 347 )
5X-RAY DIFFRACTION5chain 'D' and (resid 401 through 402 )
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 95 )
7X-RAY DIFFRACTION7chain 'B' and (resid 96 through 169 )
8X-RAY DIFFRACTION8chain 'B' and (resid 170 through 208 )
9X-RAY DIFFRACTION9chain 'B' and (resid 209 through 237 )
10X-RAY DIFFRACTION10chain 'B' and (resid 238 through 261 )
11X-RAY DIFFRACTION11chain 'B' and (resid 262 through 325 )
12X-RAY DIFFRACTION12chain 'B' and (resid 326 through 347 )
13X-RAY DIFFRACTION13chain 'F' and (resid 401 through 402 )

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