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- PDB-6vmc: T4H2 T cell receptor bound to HLA-A2 presenting gp100T2L peptide ... -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6vmc
TitleT4H2 T cell receptor bound to HLA-A2 presenting gp100T2L peptide (ILDQVPFSV)
Components
  • (T4H2 T cell receptor ...) x 2
  • Beta-2-microglobulin
  • MHC class I antigen, A-2 alpha chain
  • Melanocyte protein PMEL
KeywordsIMMUNE SYSTEM / TCR / MHC class I / HLA A2 / melanoma
Function / homology
Function and homology information


cis-Golgi network membrane / positive regulation of melanin biosynthetic process / melanin biosynthetic process / melanosome membrane / melanosome organization / multivesicular body, internal vesicle / multivesicular body membrane / antigen processing and presentation of peptide antigen via MHC class I / Regulation of MITF-M-dependent genes involved in pigmentation / negative regulation of receptor binding ...cis-Golgi network membrane / positive regulation of melanin biosynthetic process / melanin biosynthetic process / melanosome membrane / melanosome organization / multivesicular body, internal vesicle / multivesicular body membrane / antigen processing and presentation of peptide antigen via MHC class I / Regulation of MITF-M-dependent genes involved in pigmentation / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / melanosome / DAP12 signaling / T cell differentiation in thymus / negative regulation of neuron projection development / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / lysosomal membrane / external side of plasma membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
PKD- and KLD-Associated Transmembrane / PKAT, KLD domain / PKAT, KLD domain / PKD domain / Polycystic kidney disease (PKD) domain profile. / PKD domain / PKD domain superfamily / PKD/Chitinase domain / Repeats in polycystic kidney disease 1 (PKD1) and other proteins / MHC class I, alpha chain, C-terminal ...PKD- and KLD-Associated Transmembrane / PKAT, KLD domain / PKAT, KLD domain / PKD domain / Polycystic kidney disease (PKD) domain profile. / PKD domain / PKD domain superfamily / PKD/Chitinase domain / Repeats in polycystic kidney disease 1 (PKD1) and other proteins / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / 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
Major histocompatibility complex, class I, A / MHC class I antigen / Melanocyte protein PMEL / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.85 Å
AuthorsSmith, A.R. / Baker, B.M.
Funding support1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI)
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2021
Title: Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner
Authors: Smith, A.R. / Alonso, J.A. / Ayres, C.M. / Singh, N.K. / Hellman, L.M. / Baker, B.M.
History
DepositionJan 27, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 20, 2021Provider: repository / Type: Initial release
Revision 1.1Jan 27, 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.journal_volume / _citation.page_first / _citation.pdbx_database_id_DOI / _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 1.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: T4H2 T cell receptor alpha chain
E: T4H2 T cell receptor beta chain
A: MHC class I antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: Melanocyte protein PMEL
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,0396
Polymers94,9475
Non-polymers921
Water23413
1
A: MHC class I antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: Melanocyte protein PMEL
hetero molecules

D: T4H2 T cell receptor alpha chain
E: T4H2 T cell receptor beta chain


Theoretical massNumber of molelcules
Total (without water)95,0396
Polymers94,9475
Non-polymers921
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation6_544x-y,x-1,z-1/31
Buried area10800 Å2
ΔGint-60 kcal/mol
Surface area38340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)129.532, 129.532, 115.656
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number172
Space group name H-MP64
Space group name HallP64
Symmetry operation#1: x,y,z
#2: x-y,x,z+2/3
#3: y,-x+y,z+1/3
#4: -y,x-y,z+1/3
#5: -x+y,-x,z+2/3
#6: -x,-y,z

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Components

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T4H2 T cell receptor ... , 2 types, 2 molecules DE

#1: Protein T4H2 T cell receptor alpha chain


Mass: 22768.986 Da / Num. of mol.: 1 / Mutation: 0
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRAV12-2, TRAC / Plasmid: pGMT7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): pLysS
#2: Protein T4H2 T cell receptor beta chain


Mass: 27427.480 Da / Num. of mol.: 1 / Mutation: 0
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRBV19, TRBC2 / Plasmid: pGMT7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): pLysS

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Protein , 2 types, 2 molecules AB

#3: Protein MHC class I antigen, A-2 alpha chain


Mass: 31854.203 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1-Blue / References: UniProt: A0A5B8RNS7, UniProt: A0A140T913*PLUS
#4: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1-Blue / References: UniProt: P61769

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Protein/peptide , 1 types, 1 molecules C

#5: Protein/peptide Melanocyte protein PMEL / ME20-M / ME20M / Melanocyte protein Pmel 17 / Melanocytes lineage-specific antigen GP100 / Melanoma- ...ME20-M / ME20M / Melanocyte protein Pmel 17 / Melanocytes lineage-specific antigen GP100 / Melanoma-associated ME20 antigen / P1 / P100 / Premelanosome protein / Silver locus protein homolog


Mass: 1017.175 Da / Num. of mol.: 1 / Fragment: epitope (UNP residues 209-217) / Mutation: T210L / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P40967

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Non-polymers , 2 types, 14 molecules

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


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 13 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.95 Å3/Da / Density % sol: 58.3 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 18% v/v PEG10000, 16% v/v glycerol, 250 mM Tris pH 8.5, 60 mM sodium chloride

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 18, 2019
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 2.85→50 Å / Num. obs: 25782 / % possible obs: 100 % / Redundancy: 19.8 % / Biso Wilson estimate: 50.79 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rmerge(I) obs: 0.197 / Rpim(I) all: 0.045 / Rrim(I) all: 0.202 / Χ2: 1.015 / Net I/σ(I): 26
Reflection shellResolution: 2.85→2.9 Å / Redundancy: 14.9 % / Rmerge(I) obs: 1.182 / Mean I/σ(I) obs: 3 / Num. unique obs: 1266 / CC1/2: 0.611 / CC star: 0.871 / Rpim(I) all: 0.316 / Rrim(I) all: 1.224 / Χ2: 0.979 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
PHENIX1.13_2998refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 1TVH

1tvh


Resolution: 2.85→25.74 Å / SU ML: 0.4132 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.9733
RfactorNum. reflection% reflection
Rfree0.2385 1997 7.8 %
Rwork0.197 --
obs0.2002 25615 99.55 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 68.09 Å2
Refinement stepCycle: LAST / Resolution: 2.85→25.74 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6642 0 6 13 6661
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00246830
X-RAY DIFFRACTIONf_angle_d0.44629277
X-RAY DIFFRACTIONf_chiral_restr0.0421965
X-RAY DIFFRACTIONf_plane_restr0.00291218
X-RAY DIFFRACTIONf_dihedral_angle_d18.10472510
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.85-2.920.38041340.28721592X-RAY DIFFRACTION95.78
2.92-30.31441450.2841691X-RAY DIFFRACTION99.51
3-3.090.29521440.27721685X-RAY DIFFRACTION100
3.09-3.190.31691430.25211674X-RAY DIFFRACTION100
3.19-3.30.31361470.23991696X-RAY DIFFRACTION100
3.3-3.440.25431450.22161683X-RAY DIFFRACTION100
3.44-3.590.25381470.21991702X-RAY DIFFRACTION100
3.59-3.780.24291390.20821686X-RAY DIFFRACTION100
3.78-4.020.23781370.19791697X-RAY DIFFRACTION100
4.02-4.320.21191390.17121698X-RAY DIFFRACTION100
4.32-4.760.17711450.14581701X-RAY DIFFRACTION100
4.76-5.440.19481490.15651694X-RAY DIFFRACTION100
5.44-6.830.23531380.1871709X-RAY DIFFRACTION100
6.83-25.740.20991450.16321710X-RAY DIFFRACTION98.46
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)
15.47005680437-0.7161541748720.8082856890351.921442309392.940452327625.181778758250.01697461889120.244758679477-1.36471349872-1.64577384170.4360394678790.6251061533690.793869430102-0.0578356333921-0.4830446887130.609786036583-0.202765927657-0.1356849060780.603703825117-0.1578705495510.81268735499186.5594654127-30.539287688219.2052442737
28.174034694291.319805203731.370640465434.471717483730.8721216670921.67814507169-0.28950591342-0.507103828787-1.0236680241-0.5365781973760.482875630064-0.2397267097920.611746569716-0.306253427362-0.1345484283190.457988405491-0.2293118359540.04131194549010.724367332362-0.06277595901930.42103026195687.4810410389-21.134113366927.0018162489
34.522069385494.39443675707-1.1021645224.55578128285-0.1874867054723.82622863329-0.5184105182380.507533943888-1.16815519393-0.3216168161030.58636725109-1.315617521530.635849316749-0.3213438552470.08149244346590.435075365626-0.1233198271760.0771100184420.658565902298-0.1047874634690.73666983644394.8005970435-27.511440891128.5129038687
46.274136371560.556224106377-1.370174886036.83817221012-2.478743459153.53395316251-0.11993898883-0.4908030831-0.4805072697230.06418274110320.04142301145750.5470447182860.215798667718-0.0562170602750.1309402943080.315082580143-0.1911810934080.06630063668090.602980205333-0.09038672009770.3627073442885.2658430765-22.60037753325.3843884998
55.857670691615.753742442270.5676756671055.728596896110.2874116230540.9697324466690.156015992084-0.11195576968-1.232222764660.0155562702862-0.323040059874-0.5453071618930.1783961801010.274903072771-0.05302171165161.04607396873-0.1687960213970.08503551257550.406722977634-0.0232411150581.2935561609778.0792125631-47.050446161322.8527853688
63.95458734681-1.508132091710.3372967528149.0881490501-4.418135736167.318332815661.059416186460.261568174756-1.45051963035-0.3322605781430.09624619543141.225992513261.33279532687-1.53587974544-0.7522749161681.19994279822-0.401586168507-0.1028145441190.818994790502-0.1421955165550.87248041357652.0262532428-50.4131339619.1650268654
76.81335233975-0.723198437362-1.608462375516.2308571787-0.5967869074713.318523243130.3620205176671.48307236405-0.826509401983-1.08253667458-0.531299820598-0.811873653816-0.1090364409560.2042513380770.09432370405241.2532745266-0.2113917957950.1712927201620.819446756726-0.2471974303430.73590501323966.8263963862-46.670973110212.8423726197
86.611040149461.268214958392.309621114257.065465037532.479880955528.60202909684-0.461498410584-0.189433530838-0.8160930483320.322658913340.32687045344-1.036178844020.5641367605840.504253421237-0.05302025402820.8753291831580.136554551931-0.02300595057530.562529750639-0.195629421420.70600533917168.2039904818-45.503067528424.5075190262
91.418752103220.0551665476341-1.440482997253.719751704332.173629215282.794145991710.8722222156710.830376618273-1.30048190177-0.546749325847-0.1795396350140.6021851486171.00963229260.468838416091-1.549630945091.39136120205-0.368624592166-0.02301523951190.744979086045-0.4963520543750.87362967601860.5108457198-48.028877370114.1300370494
103.11260173714-1.730134159061.110830795787.239834289353.71889078177.085541155010.5102327107122.40571770041-1.25324569182-2.24131755641-0.237742682982-0.4381028151231.08444131607-0.091699966985-0.2411149229251.478399607150.0579073974250.1126099063211.0048106423-0.3410254996580.99264301088167.4006056945-55.30803399810.7578224447
113.846811546020.235255461751-0.6723138238272.866386545430.008604061857820.375158578570.0114139653386-0.37928318391-0.0977434161027-0.4605631137490.3112671521210.221252182978-0.0877255714375-0.3388465849270.1146979759120.199113205259-0.2840842675670.07592484795091.05458645366-0.04062366530240.42107640064370.0557248217-8.7486132813424.1156418773
120.6667491933651.180282140890.08370809865742.015650651340.186396182312-0.00862930238845-0.521301250728-0.00593154370312-0.129695840429-0.3782242980350.591799451040.1928532690590.007772404744250.208903517377-0.2884407288510.183954954948-0.1582414988540.03399410553431.064131518870.01577688757830.47780969973366.0172322553-17.073982753823.2541804973
132.18256873776-0.9496146983860.09353753040691.98098886145-0.9457624026654.286691527520.1538851905230.170340753141-0.46453796808-0.393200822023-0.113650239554-0.4342406908460.573002774033-0.1086583819250.003444578801050.527893199164-0.184860089158-0.04253883577750.417845564284-0.06740587719650.57216733751558.8406274263-39.755634065723.201132648
143.94394916074-1.45052350765-0.5255379255814.34220939782-0.9462529538962.400607851550.201380705108-0.215797981046-0.515588773346-0.0522317399310.06318241623240.1581890356490.476765708075-0.602401707794-0.2511579934940.449812931275-0.217566622177-0.06221308480130.6058825147740.05972286474450.38370327231351.6544703658-37.049000597228.6862091345
153.40360199463-0.275546827848-0.8780965691293.08712373012-0.5123927085873.74876231649-0.17594125455-0.1089552571120.0377455846318-0.142075385289-0.1662985804520.4813046207050.169287620798-0.6551518866390.2493523845750.538439457686-0.1042086474270.1462736923570.333071526971-0.1749698757820.381266634404107.455719003-21.4804677881-5.81483480533
163.06205334783-0.2069410471631.536587520514.549037940180.949447190951.01909226264-0.1495815752580.4822350193880.181843090526-0.821294835619-0.3615466860180.149781791825-0.307807215474-0.558947673190.2491977442440.700950331854-0.17552778150.04887262218190.463617288279-0.1431774930570.3033514995105.72468562-23.4134166757-17.4593539189
173.470169428670.128536394806-0.4848252840541.64396079262-0.8439531207023.26663434116-0.321786464984-0.483141277255-0.4147224495360.231699934651-0.1735197350430.2378647178861.42807209429-0.43648356840.4321675151250.831233862694-0.1128978741660.1940421516140.363105402065-0.01568649645450.455777709777106.947580409-32.6484916681-4.3893650073
183.14949411548-1.342510098860.4706269567982.639791571430.3402596301491.6592748359-0.0852708069108-0.7671542185660.2292680874660.509584864072-0.0914465910207-0.1620330045610.02566397792-0.1969300705030.09295810588390.646575183947-0.1376419179380.1089150806590.441963279592-0.1402665696630.390540646904117.307327561-24.24465942743.9565110381
197.94368089726-1.61436233884-3.26699901266.31537330944-1.789216936364.792759338490.139018876793-1.37797952332-0.338264027810.3856605976540.178614012189-0.3479009724130.3795945823820.671670585535-0.3415558209670.704657701803-0.155106451877-0.007427843303290.4393612373220.004803747747640.383965715417121.655214333-33.71383402474.80993675623
202.46801898941.825278772681.047902994422.48009045531-1.574641050665.344314542030.253770552370.1201126697620.145071632903-1.127794059730.345148902643-0.9660524109620.7936369757460.1240039464690.3625862034090.653788095628-0.07707325658740.2352656787220.295946851513-0.09876367276920.447239644655122.596240309-23.1843442361-17.186736315
211.57471392-1.32835463339-0.2195305234563.24160010640.8214963021443.747770824930.07479854452530.06345941808170.780886462937-0.481927597263-0.353887003550.290620166727-0.631589142148-0.2891149927770.2502085210750.560179749378-0.07765201030290.09955061928370.367739623861-0.09832520658281.04767297392113.9248342866.13421067927-11.2727244947
222.566097445861.674311090651.172928674289.187183487832.90210047594.358091260210.0333843046623-0.7293084368820.6034207197840.262594684244-0.2586200129440.231165059535-0.224353879156-0.3043760963170.2377071038720.560348540913-0.0590782014163-0.009637407216720.232369797175-0.1189454074980.87063370487115.9377136397.71738548423-4.9227841822
231.020223806211.589311894870.8414328431353.691586904071.586163296722.961068536860.11368108636-0.271469339180.9631566681710.36353149128-0.5510160430580.367337498606-0.22026872591-0.2631282658360.373262285170.58017772474-0.08671665423980.01647338125830.380687380365-0.1078322379840.87835649358117.35684700310.3977216545-3.95037881008
242.975253255270.0696770873524-0.639258639334.74151011112-2.805768603932.07454014945-0.307868063774-0.6685870524970.5527905920940.8783917763320.063701205320.2279866740220.567781542063-0.142389927970.2167561055530.8412044518520.03448580776370.06540834563660.581559688685-0.3589559275090.582526357136102.875482984-6.627373613184.1141751064
257.18916786483-4.378554848681.866820155715.62299635407-2.311522437333.764152685990.0824343993968-0.05054050425330.9894330090360.0548434729797-0.4172635524570.364854833487-0.193842624067-0.3614211326640.2808496223040.490974292191-0.09535084711980.08072247760660.440269817851-0.255652161540.692772109198.6347965219-6.35949737186-6.13265053791
266.98810000656-1.903307629511.934045936271.30611381792-2.881851987217.64077754453-0.1662283838860.803571967951.00500497980.494953014971-0.002246770639390.0918557723031-0.655102512891-1.089812521360.001102353165240.503652180270.06070296561030.1090421958220.560298732106-0.117198914860.84021411039796.0549466445-0.863106320978-9.5329868082
272.84252043587-1.767497514993.543188703944.31086002461-3.033574951225.45938865035-0.12857970483-0.5022163818390.344206549601-0.118723836092-0.208932155092-0.1154088756280.107760470359-1.086106351940.3390916146240.6292603087840.05314500386470.2320056396440.589263004446-0.2888415903010.89025379426895.0267684488-0.06417121899320.992606822055
283.64924962879-2.782340043660.9814161108343.50437628866-2.236258457061.867972994130.148918113003-0.895293258333-0.1279067224070.2534718159870.02455739302810.4018216867570.0269570783455-0.4087724949780.005988992036580.775916450628-0.2307021067840.1230808583860.456450609275-0.03185934045730.194890328214114.684873794-33.3913990199-3.33891733173
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'D' and (resid 2 through 22 )
2X-RAY DIFFRACTION2chain 'D' and (resid 23 through 54 )
3X-RAY DIFFRACTION3chain 'D' and (resid 55 through 77 )
4X-RAY DIFFRACTION4chain 'D' and (resid 78 through 105 )
5X-RAY DIFFRACTION5chain 'D' and (resid 106 through 119 )
6X-RAY DIFFRACTION6chain 'D' and (resid 120 through 132 )
7X-RAY DIFFRACTION7chain 'D' and (resid 133 through 153 )
8X-RAY DIFFRACTION8chain 'D' and (resid 154 through 168 )
9X-RAY DIFFRACTION9chain 'D' and (resid 169 through 188 )
10X-RAY DIFFRACTION10chain 'D' and (resid 189 through 202 )
11X-RAY DIFFRACTION11chain 'E' and (resid 2 through 93 )
12X-RAY DIFFRACTION12chain 'E' and (resid 94 through 120 )
13X-RAY DIFFRACTION13chain 'E' and (resid 121 through 186 )
14X-RAY DIFFRACTION14chain 'E' and (resid 187 through 241 )
15X-RAY DIFFRACTION15chain 'A' and (resid 1 through 37 )
16X-RAY DIFFRACTION16chain 'A' and (resid 38 through 56 )
17X-RAY DIFFRACTION17chain 'A' and (resid 57 through 84 )
18X-RAY DIFFRACTION18chain 'A' and (resid 85 through 137 )
19X-RAY DIFFRACTION19chain 'A' and (resid 138 through 162 )
20X-RAY DIFFRACTION20chain 'A' and (resid 163 through 174 )
21X-RAY DIFFRACTION21chain 'A' and (resid 175 through 197 )
22X-RAY DIFFRACTION22chain 'A' and (resid 198 through 219 )
23X-RAY DIFFRACTION23chain 'A' and (resid 220 through 275 )
24X-RAY DIFFRACTION24chain 'B' and (resid 1 through 12 )
25X-RAY DIFFRACTION25chain 'B' and (resid 13 through 62 )
26X-RAY DIFFRACTION26chain 'B' and (resid 63 through 78 )
27X-RAY DIFFRACTION27chain 'B' and (resid 79 through 100 )
28X-RAY DIFFRACTION28chain 'C' and (resid 1 through 9 )

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