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- PDB-6v0y: immune receptor complex -

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Basic information

Entry
Database: PDB / ID: 6v0y
Titleimmune receptor complex
Components
  • (HLA class II histocompatibility antigen, ...) x 2
  • Fibrinogen beta 72,74cit69-81
  • M141 TCR alpha chain
  • M141 TCR beta chain
KeywordsIMMUNE SYSTEM / Immune receptor
Function / homology
Function and homology information


induction of bacterial agglutination / regulation of interleukin-4 production / regulation of interleukin-10 production / myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / positive regulation of T cell mediated immune response to tumor cell / autolysosome membrane / regulation of T-helper cell differentiation / fibrinogen complex / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation ...induction of bacterial agglutination / regulation of interleukin-4 production / regulation of interleukin-10 production / myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / positive regulation of T cell mediated immune response to tumor cell / autolysosome membrane / regulation of T-helper cell differentiation / fibrinogen complex / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / Regulation of TLR by endogenous ligand / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / platelet alpha granule / blood coagulation, fibrin clot formation / positive regulation of memory T cell differentiation / cellular response to leptin stimulus / positive regulation of monocyte differentiation / CD4 receptor binding / inflammatory response to antigenic stimulus / positive regulation of kinase activity / MyD88 deficiency (TLR2/4) / positive regulation of heterotypic cell-cell adhesion / IRAK4 deficiency (TLR2/4) / transport vesicle membrane / intermediate filament / MyD88:MAL(TIRAP) cascade initiated on plasma membrane / extracellular matrix structural constituent / polysaccharide binding / T-helper 1 type immune response / plasminogen activation / p130Cas linkage to MAPK signaling for integrins / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / positive regulation of peptide hormone secretion / positive regulation of exocytosis / positive regulation of insulin secretion involved in cellular response to glucose stimulus / GRB2:SOS provides linkage to MAPK signaling for Integrins / humoral immune response / macrophage differentiation / negative regulation of type II interferon production / Generation of second messenger molecules / immunological synapse / protein polymerization / PD-1 signaling / epidermis development / cellular response to interleukin-1 / Integrin cell surface interactions / negative regulation of endothelial cell apoptotic process / T cell receptor binding / Common Pathway of Fibrin Clot Formation / detection of bacterium / negative regulation of T cell proliferation / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of substrate adhesion-dependent cell spreading / positive regulation of vasoconstriction / negative regulation of inflammatory response to antigenic stimulus / fibrinolysis / MHC class II antigen presentation / Integrin signaling / cell-matrix adhesion / platelet alpha granule lumen / trans-Golgi network membrane / positive regulation of protein secretion / lumenal side of endoplasmic reticulum membrane / protein tetramerization / Signaling by high-kinase activity BRAF mutants / clathrin-coated endocytic vesicle membrane / MAP2K and MAPK activation / ER to Golgi transport vesicle membrane / structural constituent of cytoskeleton / cognition / platelet aggregation / peptide antigen assembly with MHC class II protein complex / response to calcium ion / MHC class II protein complex / positive regulation of T cell mediated cytotoxicity / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / endocytic vesicle membrane / Interferon gamma signaling / positive regulation of immune response / Signaling by BRAF and RAF1 fusions / extracellular vesicle / Downstream TCR signaling / positive regulation of T cell activation / Platelet degranulation / MHC class II protein complex binding / late endosome membrane / T cell receptor signaling pathway / cell cortex / ER-Phagosome pathway / early endosome membrane / protein-folding chaperone binding / protein-containing complex assembly
Similarity search - Function
Fibrinogen, alpha/beta/gamma chain, coiled coil domain / Fibrinogen alpha chain / Fibrinogen alpha/beta chain family / Fibrinogen alpha/beta chain family / Fibrinogen, conserved site / Fibrinogen C-terminal domain signature. / Fibrinogen-related domains (FReDs) / Fibrinogen, alpha/beta/gamma chain, C-terminal globular, subdomain 1 / Fibrinogen beta and gamma chains, C-terminal globular domain / Fibrinogen, alpha/beta/gamma chain, C-terminal globular domain ...Fibrinogen, alpha/beta/gamma chain, coiled coil domain / Fibrinogen alpha chain / Fibrinogen alpha/beta chain family / Fibrinogen alpha/beta chain family / Fibrinogen, conserved site / Fibrinogen C-terminal domain signature. / Fibrinogen-related domains (FReDs) / Fibrinogen, alpha/beta/gamma chain, C-terminal globular, subdomain 1 / Fibrinogen beta and gamma chains, C-terminal globular domain / Fibrinogen, alpha/beta/gamma chain, C-terminal globular domain / Fibrinogen-like, C-terminal / Fibrinogen C-terminal domain profile. / MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
HLA class II histocompatibility antigen, DR alpha chain / HLA class II histocompatibility antigen, DRB1 beta chain / Fibrinogen beta chain / HLA class II histocompatibility antigen, DRB1 beta chain
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsLim, J.J. / Rossjohn, J.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC)CE140100011 Australia
CitationJournal: Sci Immunol / Year: 2021
Title: The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Authors: Lim, J.J. / Jones, C.M. / Loh, T.J. / Ting, Y.T. / Zareie, P. / Loh, K.L. / Felix, N.J. / Suri, A. / McKinnon, M. / Stevenaert, F. / Sharma, R.K. / Klareskog, L. / Malmstrom, V. / Baker, D.G. ...Authors: Lim, J.J. / Jones, C.M. / Loh, T.J. / Ting, Y.T. / Zareie, P. / Loh, K.L. / Felix, N.J. / Suri, A. / McKinnon, M. / Stevenaert, F. / Sharma, R.K. / Klareskog, L. / Malmstrom, V. / Baker, D.G. / Purcell, A.W. / Reid, H.H. / La Gruta, N.L. / Rossjohn, J.
History
DepositionNov 19, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 25, 2020Provider: repository / Type: Initial release
Revision 1.1Jun 9, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.0Nov 15, 2023Group: Atomic model / Data collection / Derived calculations
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp_atom / chem_comp_bond / pdbx_validate_rmsd_angle / struct_conn
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_label_atom_id / _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 / _chem_comp_bond.atom_id_2 / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_label_atom_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class II histocompatibility antigen, DR alpha chain
B: HLA class II histocompatibility antigen, DRB1-4 beta chain
C: Fibrinogen beta 72,74cit69-81
D: M141 TCR alpha chain
E: M141 TCR beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)97,81112
Polymers96,7795
Non-polymers1,0327
Water1,02757
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: surface plasmon resonance
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)149.753, 57.493, 128.493
Angle α, β, γ (deg.)90.000, 92.938, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

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HLA class II histocompatibility antigen, ... , 2 types, 2 molecules AB

#1: Protein HLA class II histocompatibility antigen, DR alpha chain / MHC class II antigen DRA


Mass: 21919.594 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRA, HLA-DRA1 / Production host: Homo sapiens (human) / References: UniProt: P01903
#2: Protein HLA class II histocompatibility antigen, DRB1-4 beta chain / MHC class II antigen DRB1*4 / DR4


Mass: 23080.488 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRB1 / Production host: Homo sapiens (human) / References: UniProt: P13760, UniProt: P01911*PLUS

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Protein , 2 types, 2 molecules DE

#4: Protein M141 TCR alpha chain


Mass: 22920.254 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli BL21(DE3) (bacteria)
#5: Protein M141 TCR beta chain


Mass: 27565.814 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli BL21(DE3) (bacteria)

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Protein/peptide / Sugars , 2 types, 4 molecules C

#3: Protein/peptide Fibrinogen beta 72,74cit69-81


Mass: 1292.422 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P02675*PLUS
#6: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 2 types, 61 molecules

#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: C3H8O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 57 / 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: 2.85 Å3/Da / Density % sol: 56.9 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.2 M trisodium citrate, 20% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 20, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.7→47.51 Å / Num. obs: 30420 / % possible obs: 100 % / Redundancy: 6.9 % / Biso Wilson estimate: 60.3975140729 Å2 / CC1/2: 0.993 / Net I/σ(I): 7.8
Reflection shellResolution: 2.7→2.83 Å / Num. unique obs: 4010 / CC1/2: 0.521

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6BIL

6bil


Resolution: 2.7→47.5 Å / SU ML: 0.411663443151 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.3199094099
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2472 1528 5.02763885233 %
Rwork0.22 28864 -
obs0.2214 30392 99.901387154 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 74.2391519607 Å2
Refinement stepCycle: LAST / Resolution: 2.7→47.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6382 0 66 57 6505
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007448752748276619
X-RAY DIFFRACTIONf_angle_d0.9424274197559019
X-RAY DIFFRACTIONf_chiral_restr0.0492207533026991
X-RAY DIFFRACTIONf_plane_restr0.01591468174481171
X-RAY DIFFRACTIONf_dihedral_angle_d20.36860749572351
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.78720.39341520.35962570X-RAY DIFFRACTION99.8166483315
2.7872-2.88680.362983274151300.3226550262392606X-RAY DIFFRACTION99.8904709748
2.8868-3.00230.3086131540891490.2968491063262613X-RAY DIFFRACTION99.9276410999
3.0023-3.1390.3367210064141330.287734499212590X-RAY DIFFRACTION99.9632892805
3.139-3.30440.2620076297631540.2490185223122583X-RAY DIFFRACTION99.9269806499
3.3044-3.51140.2477753444161350.2316840696512622X-RAY DIFFRACTION99.8913043478
3.5114-3.78240.2213246765421410.2082991120782618X-RAY DIFFRACTION99.9637681159
3.7824-4.16280.2131275574311360.1982227846292619X-RAY DIFFRACTION99.7826874321
4.1628-4.76470.2182769412441480.1747798410912641X-RAY DIFFRACTION99.9283410964
4.7647-6.00110.2167706360711200.1929173631812648X-RAY DIFFRACTION99.9277978339
6.0011-47.50.2358317296871300.2066791471442754X-RAY DIFFRACTION99.8960859023
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)
12.09557857404-0.5698192442780.3483328674961.662010832051.584045955512.587021105830.04991085428640.35688524434-0.717771814223-0.0319000704308-0.06467602192480.1068670010090.6162279329140.0472136205308-0.08646313678880.583962341047-0.01118753272940.0228199200080.593452369079-0.1023492353170.632740125847-24.811272855911.023754112919.7044751744
23.729788588811.015318979481.037190245752.451328229792.743777396054.19973489978-0.05921110694350.0351301141586-0.1269603287690.3655387732520.852340802589-1.191561259461.629388023841.33266450159-0.5086750742790.5832475705880.09025139141630.003700781181580.733472505346-0.1278417731410.698828537377-11.188210701710.643964929921.0844199105
34.24183399378-0.9496726963180.07918285134152.654487851651.468193094723.45417492025-0.239219478448-0.101935881118-1.380647708090.0850575553855-0.08440242201140.5188026475540.410558380341-0.8739320674160.1373277107810.458033183145-0.1006909923690.02362351930640.619470452392-0.07976517527140.657549158679-36.586141252314.004586415428.0840853428
41.46446522268-0.576303953660.08942522689712.366455138960.09010029710663.280251336990.108631830230.539822825832-1.09666263719-0.216103576032-0.1093079265380.01673285032990.7103689991310.164633943489-0.03424266478130.7749764385880.0106768986054-0.07152706403240.910685005763-0.3275967466050.923575557102-28.1434705951-2.194511042716.8602996762
53.554217515750.2945774202550.137736105872.771616514720.1672699363184.19500003024-0.01679281702250.418171384029-0.637726017353-0.131257814716-0.0525954197607-0.0253872288090.505241564326-0.7265441273060.1122850002830.525395918698-0.02084663137580.06438613662320.705181835612-0.1341332864390.573175868688-34.573510776213.821840488217.0841814595
61.49873098643-1.409834784421.847041110652.975110809291.569279063074.34058873248-0.2322707696990.644141744406-0.00517776209061-0.5619727031210.06002522183580.351399945397-0.302582832709-0.6321060829970.1206171083440.6065447859470.0945502454849-0.05087029938440.710380978409-0.03320640125210.481020901977-31.701641585524.945953120115.7315341675
71.41132246341-0.0168787755403-0.1633879668072.275005529751.487679743155.063490312520.1250338747170.2825556867640.184545479453-0.368286675729-0.3203434165710.500428445023-0.428012241908-1.011613860330.3082920706110.5281923415330.1270356849250.007155253249330.6949950314590.000506208086310.678371902938-39.041019100630.247349649623.2237363906
84.06140468075-0.5677714232940.3660038434512.339240074310.3917597284082.84191614255-0.206655085760.2015118442760.295944196774-0.1781480369020.20287344046-0.310881325176-0.3352396736110.394097849023-0.1435437395390.557125690537-0.043481981610.04063188057430.4847901425160.01532892864780.482744537192-21.90504012529.443108528622.4540197372
92.393065500231.777391199570.3445057792512.521837047641.160757951738.230805685850.4483160518670.3102748255220.0217511208887-1.08353209496-0.953699878681-1.16069406649-0.1633533778680.676725993959-0.6387548665850.6153601452970.05645419878280.1560647499671.04040545344-0.06082391598840.753343817023-7.587434272216.07895615589.13865067829
100.5917331188330.329744141089-0.4391957560573.077005677353.968761682135.0303378743-0.5833272802560.672939062388-0.747889156986-0.5839611274270.4389927340470.26666160263-0.6339787487770.550994804887-0.4575113592240.9040066733910.0009416782679550.1127621463391.54587030264-0.5294154996990.918038884936-10.30270926873.45339719308-9.82779686332
110.5337964408080.108558762845-0.2611423750570.7609519578220.7669423857392.80542737755-0.008573662778511.14902349823-0.123655289425-0.5245939634470.342426267286-0.233212486128-0.1505794818210.250148102856-0.3622615931250.882750377718-0.01029535122710.08287913070151.41896130559-0.2482597075560.825763509592-10.348434468710.6664220604-10.6314303739
120.812495324899-0.5192850849290.7219058720652.074490551861.274655583872.890235431130.02042923569470.108998560145-0.405234460159-0.008524488994970.1299659215060.05437331830850.132369737185-0.07769135184750.008751452083620.4780075510430.08995761218690.08273014778030.4849442837970.06745437800030.60405680459-27.926566376321.721540011327.2118777183
131.954452739721.809449300081.228719715523.393579129831.174794578184.583804209840.1050927909070.3081970676280.0915061844098-0.1543183343680.121915377121-0.384556222313-0.1903644023340.395675644913-0.300733374910.335976528925-0.01989683805990.09842461841940.430573944850.04114014332030.541619310048-12.709711795138.0937997642.0954727916
140.7558681667131.783622744240.6622511204034.965582785354.028600266714.54312590170.133924644174-0.0637344627530.2885592377320.11087874311-0.3050391982460.552140107161-0.138168501039-0.199757744689-0.2046316650410.3279051018430.01724310870860.03976196897530.4656933172490.03505054444660.601110024205-14.752903547442.169270250851.1384158194
153.827843501280.2053668645780.655026521364.056331671230.05550109130333.34561032239-0.0773506166298-0.2336233559410.07551028670520.1360001165390.0646490502212-0.2074759370030.0339082340986-0.0737381216023-0.1817896873310.3571398706890.04031854827910.03923459136810.378615297463-0.03258749116520.585210355268-14.666804837752.323351724474.6546631907
162.1411258452-0.04705300428110.2147920122991.189721295561.21178301954.47213165216-0.275307695275-0.345031949033-0.1430627144060.4243876536340.224210120826-0.1888422666210.234743966017-1.332708717670.06529061093740.41606266902-0.1012861301070.2012100743020.530085401662-0.07800441158940.553549307275-33.093354686425.200448441759.9675546463
171.5598679677-0.8615983975661.141113258112.00842804047-0.5313102392245.8192098241-0.02552645118-0.0088727435696-0.0715366248510.263904810736-0.06755091829040.1664154535160.241403320845-0.5043784901520.1126428342380.321659938922-0.0462883008050.03892452263090.352560029655-0.058173315840.488080301103-31.985521632824.45547648547.3413474772
183.180224052030.7257921697090.09989413371013.270113024220.8824535425676.070906558080.356223931707-0.283702894573-0.7033012832480.298738177379-0.0877405911113-0.288809474780.772042891904-0.0136371669218-0.04639742152680.474827377454-0.01522095158540.1113362126520.3587873186430.009539118368080.604355907145-27.221194736117.587017418347.1534601013
191.662776313231.491063495671.540811741672.671333185870.8790219902227.74874176804-0.02812192285890.611044913672-0.5871332491840.165544132029-0.208786022811-0.6743413337441.163879327890.619326228407-0.1429298431990.65786967699-0.02746015187150.2043097658490.406473449358-0.006527406598460.611851532678-29.509940002216.806173593757.2701161624
201.250101007190.3454794340420.9639055145692.122154124380.4948847624461.316699575270.1849058737880.113452753153-0.000636985685636-0.01428298170690.0819979005518-0.02014945513450.0281544709936-0.3939366054060.008460859869120.3112832925540.01232157921780.04678959012890.391685643010.03615799267390.500631078395-26.835357396927.872447785542.5240659755
211.76596339654-0.3991644429710.0132851275113.458718252074.461160104435.84628823426-0.0187769790209-0.584304532310.1668225088230.6466981747960.412878658256-1.151331319121.030320893940.3547269078790.004978965572730.634735676071-0.07139241774730.1632592907450.4077571304250.09379774693550.613903521457-27.635485351624.918007674871.260999659
222.26651792023-0.5252148236230.2591020716962.893109819370.6813769097032.23756263878-0.07085990360920.001099889060760.2020978008610.04737739156750.1148534648960.16729430093-0.204507953098-0.1879099858150.07659033120590.3363805182460.03212864225810.09371404945980.371450730392-0.02216009573890.445151713556-26.534265467849.784445731573.546127277
233.10481897259-0.5374334437590.6074632578734.50950092321-0.6319898642223.84579647630.3264648543530.207879354464-0.6453988675510.175931774187-0.159212249971-0.02961338221640.1287416440180.07084201534180.00895146761960.389419226908-0.02673334798260.079163003380.388354467143-0.03841273372510.568204496671-23.753156258940.789480871469.7186079024
241.17570087476-0.0369545375574-0.3800799189383.170047031411.425587000372.035639194180.0492909759592-0.07985747327420.340603108773-0.156567648129-0.2451321652180.0165956908349-0.223413392396-0.4650356679110.2071908963940.3510065318960.04002749580680.07718088621830.423977568540.03751463304810.59987725333-31.280259401953.030726133472.145625974
251.95538451144-0.3502287222780.5723270093123.351467642520.5547719804424.409894223980.112872086081-0.134719883458-0.3074621318430.511172875648-0.02184784926930.5263326847740.801111339966-0.686541083950.2383970620690.496635741741-0.1249061741660.2136027206730.676960903671-0.03925912079470.619091722151-36.36956150535.068796227576.5685045205
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 43 )
2X-RAY DIFFRACTION2chain 'A' and (resid 44 through 55 )
3X-RAY DIFFRACTION3chain 'A' and (resid 56 through 76 )
4X-RAY DIFFRACTION4chain 'A' and (resid 77 through 180 )
5X-RAY DIFFRACTION5chain 'B' and (resid 2 through 18 )
6X-RAY DIFFRACTION6chain 'B' and (resid 19 through 41 )
7X-RAY DIFFRACTION7chain 'B' and (resid 42 through 66 )
8X-RAY DIFFRACTION8chain 'B' and (resid 67 through 85 )
9X-RAY DIFFRACTION9chain 'B' and (resid 86 through 97 )
10X-RAY DIFFRACTION10chain 'B' and (resid 98 through 122 )
11X-RAY DIFFRACTION11chain 'B' and (resid 123 through 188 )
12X-RAY DIFFRACTION12chain 'C' and (resid 69 through 81 )
13X-RAY DIFFRACTION13chain 'D' and (resid 2 through 108 )
14X-RAY DIFFRACTION14chain 'D' and (resid 109 through 134 )
15X-RAY DIFFRACTION15chain 'D' and (resid 135 through 218 )
16X-RAY DIFFRACTION16chain 'E' and (resid 3 through 17 )
17X-RAY DIFFRACTION17chain 'E' and (resid 18 through 44 )
18X-RAY DIFFRACTION18chain 'E' and (resid 45 through 85 )
19X-RAY DIFFRACTION19chain 'E' and (resid 86 through 99 )
20X-RAY DIFFRACTION20chain 'E' and (resid 100 through 121 )
21X-RAY DIFFRACTION21chain 'E' and (resid 122 through 136 )
22X-RAY DIFFRACTION22chain 'E' and (resid 137 through 174 )
23X-RAY DIFFRACTION23chain 'E' and (resid 175 through 200 )
24X-RAY DIFFRACTION24chain 'E' and (resid 201 through 227 )
25X-RAY DIFFRACTION25chain 'E' and (resid 228 through 257 )

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