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- PDB-5d7j: Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(... -

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Basic information

Entry
Database: PDB / ID: 5d7j
TitleStructure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • M33.64 TCR Alpha Chain
  • M33.64 TCR Beta Chain
  • Major histocompatibility complex class I-related gene protein
KeywordsIMMUNE SYSTEM / Receptor / Antigen
Function / homology
Function and homology information


positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / early endosome lumen / positive regulation of receptor binding ...positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / early endosome lumen / positive regulation of receptor binding / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / cellular response to iron ion / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / multicellular organismal-level iron ion homeostasis / positive regulation of T cell mediated cytotoxicity / peptide antigen assembly with MHC class II protein complex / negative regulation of neurogenesis / MHC class II protein complex / positive regulation of receptor-mediated endocytosis / cellular response to nicotine / recycling endosome membrane / phagocytic vesicle membrane / specific granule lumen / peptide antigen binding / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / positive regulation of immune response / negative regulation of epithelial cell proliferation / Modulation by Mtb of host immune system / positive regulation of T cell activation / sensory perception of smell / negative regulation of neuron projection development / tertiary granule lumen / DAP12 signaling / MHC class II protein complex binding / late endosome membrane / T cell differentiation in thymus / positive regulation of protein binding / ER-Phagosome pathway / iron ion transport / protein refolding / early endosome membrane / protein homotetramerization / intracellular iron ion homeostasis / defense response to Gram-negative bacterium / amyloid fibril formation / learning or memory / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / lysosomal membrane / endoplasmic reticulum lumen / external side of plasma membrane / Golgi membrane / focal adhesion / innate immune response / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / membrane / identical protein binding / plasma membrane / cytosol
Similarity search - Function
MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / 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. ...MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / 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 / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Chem-2LJ / Beta-2-microglobulin / Major histocompatibility complex class I-related gene protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.97 Å
AuthorsKeller, A.N. / Woolley, R.E. / Rossjohn, J.
CitationJournal: Immunity / Year: 2016
Title: Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Authors: Gherardin, N.A. / Keller, A.N. / Woolley, R.E. / Le Nours, J. / Ritchie, D.S. / Neeson, P.J. / Birkinshaw, R.W. / Eckle, S.B. / Waddington, J.N. / Liu, L. / Fairlie, D.P. / Uldrich, A.P. / ...Authors: Gherardin, N.A. / Keller, A.N. / Woolley, R.E. / Le Nours, J. / Ritchie, D.S. / Neeson, P.J. / Birkinshaw, R.W. / Eckle, S.B. / Waddington, J.N. / Liu, L. / Fairlie, D.P. / Uldrich, A.P. / Pellicci, D.G. / McCluskey, J. / Godfrey, D.I. / Rossjohn, J.
History
DepositionAug 14, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 27, 2016Provider: repository / Type: Initial release
Revision 1.1Feb 3, 2016Group: Database references
Revision 1.2Feb 10, 2016Group: Derived calculations / Refinement description
Revision 2.0Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Non-polymer description / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / diffrn_source / entity / pdbx_entity_nonpoly / pdbx_initial_refinement_model / pdbx_struct_oper_list / struct_conn
Item: _chem_comp.formula / _chem_comp.formula_weight ..._chem_comp.formula / _chem_comp.formula_weight / _chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _diffrn_source.pdbx_synchrotron_site / _entity.formula_weight / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: M33.64 TCR Alpha Chain
B: M33.64 TCR Beta Chain
C: Major histocompatibility complex class I-related gene protein
D: Beta-2-microglobulin
E: Major histocompatibility complex class I-related gene protein
F: Beta-2-microglobulin
G: M33.64 TCR Alpha Chain
H: M33.64 TCR Beta Chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)188,08214
Polymers187,0818
Non-polymers1,0016
Water22,6991260
1
A: M33.64 TCR Alpha Chain
B: M33.64 TCR Beta Chain
E: Major histocompatibility complex class I-related gene protein
F: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,9496
Polymers93,5414
Non-polymers4082
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Major histocompatibility complex class I-related gene protein
D: Beta-2-microglobulin
G: M33.64 TCR Alpha Chain
H: M33.64 TCR Beta Chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,1338
Polymers93,5414
Non-polymers5934
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)214.600, 69.590, 141.470
Angle α, β, γ (deg.)90.000, 103.810, 90.000
Int Tables number5
Space group name H-MC121

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Components

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Protein , 4 types, 8 molecules AGBHCEDF

#1: Protein M33.64 TCR Alpha Chain


Mass: 22767.283 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRAV/TRAV / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
#2: Protein M33.64 TCR Beta Chain


Mass: 27182.260 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TRBV/TRBC / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
#3: Protein Major histocompatibility complex class I-related gene protein / MHC class I-related gene protein / Class I histocompatibility antigen-like protein


Mass: 31711.670 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MR1 / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q95460
#4: Protein Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11879.356 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P61769

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Non-polymers , 3 types, 1266 molecules

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


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical ChemComp-2LJ / 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol / 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil


Mass: 316.310 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C12H20N4O6
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1260 / Source method: isolated from a natural source / Formula: H2O

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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: 2.74 Å3/Da / Density % sol: 55.14 %
Crystal growTemperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: BTP, PEG 3350, NaAc

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.953 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 22, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953 Å / Relative weight: 1
ReflectionResolution: 1.97→35.76 Å / Num. obs: 135443 / % possible obs: 93.8 % / Redundancy: 3.6 % / Net I/σ(I): 8.4
Reflection shellResolution: 1.97→2 Å / Redundancy: 3.1 % / Mean I/σ(I) obs: 2 / % possible all: 77

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
PHENIX(phenix.refine: 1.9_1692)refinement
PDB_EXTRACT3.15data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4L4T

4l4t


Resolution: 1.97→35.757 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.56 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2224 6825 5.04 %
Rwork0.1791 128469 -
obs0.1813 135294 93.73 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 115.22 Å2 / Biso mean: 32.7462 Å2 / Biso min: 5.57 Å2
Refinement stepCycle: final / Resolution: 1.97→35.757 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12646 0 68 1260 13974
Biso mean--18.35 34.47 -
Num. residues----1602
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00813159
X-RAY DIFFRACTIONf_angle_d1.08717893
X-RAY DIFFRACTIONf_chiral_restr0.051913
X-RAY DIFFRACTIONf_plane_restr0.0052342
X-RAY DIFFRACTIONf_dihedral_angle_d14.2054692
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.966-1.98830.27231720.24893487365976
1.9883-2.01170.26251780.23373606378480
2.0117-2.03630.28212070.22473639384681
2.0363-2.0620.28052100.21813714392482
2.062-2.08920.25562150.21953781399683
2.0892-2.11780.29461960.21653784398084
2.1178-2.1480.24841880.21613961414987
2.148-2.18010.26492220.21153937415987
2.1801-2.21420.26512240.21184073429790
2.2142-2.25040.27731930.20964160435391
2.2504-2.28920.26682330.20114192442594
2.2892-2.33090.24842390.21344303454295
2.3309-2.37570.28112410.21144374461596
2.3757-2.42420.25632200.2054408462897
2.4242-2.47690.26492350.20314494472998
2.4769-2.53450.25452260.19744526475299
2.5345-2.59780.23362190.198645224741100
2.5978-2.66810.22242240.19934587481199
2.6681-2.74650.2822680.205444904758100
2.7465-2.83520.2512680.204145324800100
2.8352-2.93640.24432540.192945214775100
2.9364-3.0540.24312710.18944551482299
3.054-3.19290.21992370.179545454782100
3.1929-3.36110.20382500.171945654815100
3.3611-3.57150.20552480.163445434791100
3.5715-3.84690.19552270.155246424869100
3.8469-4.23350.19462470.143745574804100
4.2335-4.84480.15382550.121346054860100
4.8448-6.09910.16572360.147146374873100
6.0991-35.76250.20712220.17694733495598
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)
12.9079-0.2809-0.00741.3557-0.04361.7876-0.0140.28190.20010.0279-0.018-0.0806-0.09610.2569-0.00380.1134-0.03260.0140.21020.02310.1838-36.430737.048417.7293
20.96530.1795-0.39210.59730.33220.9067-0.0145-0.02580.10130.05-0.0073-0.0661-0.00870.07040.00880.0869-0.0031-0.00040.0930.01260.1296-46.657635.086120.7758
31.45380.067-0.65750.84290.1451.8943-0.0079-0.1399-0.17040.02020.0292-0.15620.22420.323-0.05350.12430.0132-0.0020.12330.01280.1586-42.131228.851521.3224
44.7546-0.5015-1.0480.6580.29480.9273-0.046-0.15610.0103-0.00450.0547-0.1320.09240.2772-0.01150.1276-0.00540.00370.18780.02760.1593-36.151332.856114.2296
52.10850.63151.01412.29191.63111.3694-0.07510.18290.1107-0.6291-0.0344-0.2935-0.15910.43980.0610.41540.07370.13930.45780.02920.4544-13.852229.4588-9.0088
61.1405-0.25150.12541.3164-0.06782.52070.0551-0.30330.5019-0.13710.13080.0705-0.65120.0446-0.00680.38930.03240.11840.4633-0.02680.6227-18.832438.41932.8807
71.6953-0.18890.1014.5763-1.99683.1218-0.0485-0.24350.2027-0.01260.117-0.03060.30480.3938-0.0180.23430.06930.07340.24010.05430.313-21.969826.17442.6782
81.4576-0.38490.35350.79420.44861.0064-0.119-0.10060.2620.03890.235-0.1980.03240.4127-0.05230.27360.05810.07250.29860.02960.365-19.225529.5180.0876
91.0725-0.40211.14510.156-0.44411.23720.0280.48750.4814-0.49120.1516-0.003-0.38190.02180.03290.5841-0.11840.23670.47870.05140.7514-12.395640.6378-10.1488
102.0778-0.59520.35731.96580.14481.69850.0517-0.20070.2660.14160.1335-0.1261-0.2320.3378-0.06460.3064-0.07460.07220.6387-0.1030.6743-9.452437.22012.6591
110.9536-0.0489-0.34840.5652-0.37680.8854-0.05610.2226-0.1124-0.3097-0.0427-0.08150.3586-0.21580.08270.2458-0.04270.03720.1534-0.0180.1486-55.88329.0232-2.3617
120.9803-0.0249-0.40280.5192-0.31131.7270.01670.07930.0184-0.0842-0.0551-0.03450.0321-0.10550.03770.1442-0.00270.00120.0925-0.01770.1288-57.883833.15643.5439
132.2277-0.6341-1.01350.46390.3081.00340.130.38360.5076-0.2734-0.0166-0.1703-0.331-0.01730.04760.362-0.00490.09080.130.05370.2928-43.493437.3886-14.6104
141.2424-0.07820.37981.0799-0.07091.7977-0.0211-0.0147-0.0612-0.02380.0585-0.14690.34970.2768-0.01830.33120.0740.12250.18830.00070.3023-24.782224.771-7.6911
151.3733-0.36620.52522.1011-0.41862.43280.14020.17730.063-0.42950.03830.09470.2250.0058-0.13360.3845-0.03260.12720.1464-0.02180.2493-36.097426.678-19.5825
161.66190.73140.25021.82470.16451.5862-0.09250.1899-0.37170.09590.0629-0.20670.22290.16170.00650.1735-0.03370.00370.21540.02460.1657-47.673520.520279.8794
175.32031.51651.39260.8860.21281.37870.1542-0.044-0.22260.12430.0049-0.04670.06420.0255-0.12130.2606-0.042-0.07110.20240.03760.2453-51.742723.570685.572
180.92750.67530.33981.04360.67771.44030.05350.31160.1385-0.0675-0.01740.11250.22620.1025-0.06350.148-0.0528-0.03560.2850.07970.1673-45.675532.122679.2365
191.30840.38410.50350.78810.0031.1686-0.00520.01130.1260.0771-0.0210.11580.0255-0.04290.01760.1639-0.0475-0.01810.18380.04880.1919-49.459631.81289.0315
202.98250.7740.42180.78750.26090.8839-0.1106-0.16810.0615-0.06040.01760.1904-0.0858-0.07210.03450.164-0.0554-0.0420.24060.07030.1961-55.637429.334579.7717
212.07080.73980.71810.81710.53130.68640.06590.334-0.12470.04780.1055-0.10620.04830.0733-0.10710.1852-0.0752-0.04080.31320.02110.1902-44.243627.978378.4322
222.55230.69591.25821.4024-0.84991.7857-0.083-0.1640.2151-0.0903-0.01560.24520.08-0.60260.01790.2964-0.1188-0.00830.40390.04570.2694-77.375816.48369.0198
231.0913-0.0660.09010.7379-0.65292.52280.0854-0.1031-0.3322-0.57720.12530.01180.73410.3563-0.11140.5667-0.0703-0.00820.2670.00240.222-69.061313.254358.3779
241.00190.61860.01491.20370.80262.70190.1558-0.30580.2339-0.2388-0.0129-0.17680.0738-0.05830.00420.3258-0.03660.0390.36830.04350.1873-69.605422.127265.1142
251.61870.3209-0.22360.221-0.46721.6936-0.02750.0388-0.3002-0.4668-0.0567-0.01660.5995-0.39940.05660.5348-0.07860.05980.24090.03010.2359-70.149912.71257.461
263.3501-0.33240.79531.4288-0.49161.6624-0.0776-0.1224-0.5136-0.4035-0.0372-0.01750.657-0.12430.03320.7074-0.17710.05730.37110.11110.4187-74.37336.508165.2427
270.1938-0.03360.10450.63230.37230.7549-0.07290.52680.0879-0.4429-0.03290.295-0.42130.2261-0.0240.3983-0.1452-0.11820.68230.13420.1707-40.925239.791361.8771
281.00150.29940.08760.38590.28570.9796-0.09280.45550.0088-0.13250.1205-0.0361-0.10380.4671-0.01420.2878-0.1325-0.05430.65740.09830.197-35.10436.287264.9361
291.31460.22361.28910.85571.04083.0369-0.03160.23540.2397-0.23830.00890.2347-0.3287-0.10670.08780.231-0.0652-0.07160.39260.13870.2297-43.291642.010475.6318
302.28510.98941.60940.93030.39911.31270.169-0.2498-0.33820.05750.005-0.29760.43120.5705-0.05620.31470.0078-0.01590.52470.04980.2318-45.302724.851848.731
311.7082-0.3556-0.37711.4028-0.47611.49180.3101-0.23130.0226-0.2239-0.09810.0107-0.34450.0216-0.16540.33-0.10830.02020.36680.02140.1561-69.535624.127154.6907
321.66550.1129-0.40181.37710.31632.07020.2365-0.39540.14170.1703-0.3336-0.4356-0.09320.64830.09260.4407-0.03750.08510.4120.11570.2107-59.62123.137856.92
331.28340.2378-0.93010.5143-0.28341.24190.3688-0.35220.32760.087-0.03880.0813-0.45730.2366-0.16450.3845-0.09120.00380.41230.08590.2069-65.323829.572451.2436
344.70350.1587-1.24930.4743-0.37281.05520.2687-0.4168-0.02560.0762-0.1487-0.0234-0.1926-0.0304-0.02870.2546-0.0984-0.00540.40860.12710.2338-60.902928.773643.2444
350.90370.184-0.13091.4437-0.45871.12650.03960.12510.0914-0.0368-0.01650.18210.0047-0.0164-0.0020.1060.0040.02020.0761-0.03260.1506-76.553233.790420.8974
361.31780.202-0.00791.179-0.62370.63190.067-0.098-0.15550.1832-0.0963-0.0610.0650.07480.02160.1416-0.02460.02070.0902-0.01480.1374-68.785226.538431.5191
371.56830.1951-0.07491.11530.0731.3058-0.0183-0.3046-0.18290.0565-0.06290.08520.1138-0.26160.03990.2511-0.01220.08210.2064-0.04030.2463-92.365844.738149.5621
380.91220.2518-0.31890.99490.39941.08410.1601-0.2713-0.19180.2506-0.03440.24710.27790.0003-0.01870.3524-0.0040.05840.18690.03420.2824-91.566438.76850.0651
391.1238-0.0015-0.01331.30330.02782.28990.0088-0.3198-0.1960.2383-0.13920.08330.3054-0.26390.10650.2366-0.04170.06170.27230.00170.2305-90.803244.04555.0726
401.1057-1.1690.59141.7424-0.91650.5028-0.05290.1068-0.02180.014-0.1515-0.06840.0278-0.08210.13250.1759-0.02970.03290.1382-0.06940.2543-95.60729.926335.1349
411.3591-0.3840.36680.4911-0.46640.4341-0.2191-0.13230.45930.1897-0.31220.3253-0.2462-0.4577-0.14890.39590.1401-0.00620.3258-0.19670.5695-104.06251.533639.3171
421.0722-1.3389-0.59133.11451.09780.5667-0.06310.0210.1893-0.056-0.08360.176-0.2729-0.18570.09880.19040.04170.00470.1485-0.05880.2722-97.04339.870533.1968
433.363-2.7305-1.39642.76810.69510.9759-0.06680.32730.0851-0.5278-0.16060.2066-0.2189-0.60330.17630.2499-0.0151-0.08520.2708-0.07320.292-98.459231.800525.7223
445.65840.277-1.51771.024-0.36251.77820.16120.41760.3837-0.52230.00990.236-0.2624-0.402-0.11150.35730.1584-0.14410.4617-0.07620.4815-104.464641.773723.4705
452.1136-1.66430.76332.5502-0.64570.8869-0.12230.120.0107-0.13220.08010.05220.0735-0.09010.05290.2008-0.01310.04770.1194-0.01180.1841-84.451231.396930.057
464.6574-3.4968-0.36652.77980.12780.5405-0.13840.28110.4472-0.2988-0.1224-0.0341-0.1973-0.44560.16160.27960.0891-0.06850.2059-0.08040.3004-96.608741.496529.7388
474.85070.0473-0.02255.05092.36282.8344-0.1015-0.0968-0.08220.2386-0.02870.47790.1628-0.44670.06940.40910.1791-0.02050.5044-0.08450.9426-114.241245.721535.1779
481.7415-1.8011-0.2382.1974-0.04810.58540.1125-0.14550.0439-0.2608-0.09780.2724-0.0524-0.13730.00390.16230.0116-0.06150.2867-0.14890.3504-103.278832.74628.607
492.7203-1.92640.71684.73330.41433.7803-0.013-0.0634-0.3001-0.2379-0.04790.58340.1723-0.4893-0.01690.2394-0.07410.00020.2671-0.12970.3452-102.227122.163627.6358
502.6968-0.8114-0.22963.28230.25422.2898-0.2242-0.36310.3310.294-0.16410.2468-0.1736-0.37820.1590.20810.01770.03090.3611-0.17550.3949-106.974436.979237.474
511.11770.23390.27191.20860.14981.5043-0.02670.47620.1589-0.22120.1129-0.06750.04730.1806-0.04620.1418-0.0609-0.02140.45980.07120.1919-21.573747.940584.728
521.19110.50590.23031.64420.20560.96110.10260.14590.18660.0615-0.04420.20220.0147-0.002-0.05910.127-0.0272-0.02890.27260.06070.2178-31.671348.409195.0768
530.8603-0.5596-0.24110.4392-0.1060.79890.02180.1579-0.03560.10880.1762-0.3142-0.01540.2327-0.09410.23010.0627-0.14010.3245-0.03540.378-2.136242.0538107.6168
540.98810.55790.78112.15152.61524.1633-0.1308-0.19510.4630.00090.0333-0.0188-0.2886-0.22470.0190.27210.1019-0.14440.2903-0.06910.365-4.046248.4781113.8477
550.8360.16290.15551.51750.65262.2035-0.06480.13340.20260.1407-0.09490.1367-0.4392-0.16840.09110.25430.0724-0.08380.3302-0.02280.358-5.141752.5479112.8732
560.60130.26940.03492.21931.34371.9861-0.1444-0.40770.2410.184-0.01080.0248-0.4292-0.37440.06340.35370.0875-0.15480.3877-0.1010.3596-2.946748.2534123.1504
573.546-0.9275-1.3730.3480.40020.56770.09190.26630.42710.0843-0.054-0.1431-0.17080.1722-0.01610.2828-0.0457-0.08930.40380.06820.5567-8.406662.031599.1748
581.0322-0.45451.09071.06560.25121.7615-0.12760.01410.03410.0507-0.0575-0.461-0.19230.4409-0.03210.1190.0431-0.23360.59030.03910.941910.685449.8022101.716
590.5671-0.1012-0.00450.6640.00010.55020.09020.70220.4231-0.2152-0.0474-0.479-0.33730.5088-0.0859-0.1489-0.2327-0.06390.68320.28310.7518-0.944559.066791.7097
606.298-1.8948-1.34392.04711.03711.5047-0.01570.07860.0238-0.04680.1273-0.1530.0660.18310.00630.1534-0.0069-0.0280.41910.0520.2661-16.70354.184894.0945
612.82930.520.16090.42370.09980.8319-0.06170.2441-0.0599-0.1149-0.0726-0.53720.14810.5686-0.1041-0.3844-0.03850.04980.75830.15460.4789-0.652353.993792.9064
620.10080.1221-0.07190.27380.0410.18110.1334-0.07240.02520.06940.0421-0.18860.03070.21430.07660.263-0.0249-0.24931.0593-0.00851.142816.026860.275198.4433
633.2324-0.98630.10741.0037-0.05710.56190.1464-0.04420.2804-0.09970.1234-0.4627-0.26350.21320.05780.3134-0.29030.00540.59020.48721.0995-3.825768.310592.9743
642.4659-0.6441-0.0673.8935-0.27613.2376-0.04-0.06110.12910.13310.2654-0.2281-0.08460.26430.02150.4018-0.1134-0.27920.51510.15820.92954.655763.4504100.8023
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'G' and (resid 1 through 17 )G0
2X-RAY DIFFRACTION2chain 'G' and (resid 18 through 37 )G0
3X-RAY DIFFRACTION3chain 'G' and (resid 38 through 91 )G0
4X-RAY DIFFRACTION4chain 'G' and (resid 92 through 116 )G0
5X-RAY DIFFRACTION5chain 'G' and (resid 117 through 135 )G0
6X-RAY DIFFRACTION6chain 'G' and (resid 136 through 150 )G0
7X-RAY DIFFRACTION7chain 'G' and (resid 151 through 165 )G0
8X-RAY DIFFRACTION8chain 'G' and (resid 166 through 175 )G0
9X-RAY DIFFRACTION9chain 'G' and (resid 176 through 185 )G0
10X-RAY DIFFRACTION10chain 'G' and (resid 186 through 198 )G0
11X-RAY DIFFRACTION11chain 'H' and (resid 3 through 37 )H0
12X-RAY DIFFRACTION12chain 'H' and (resid 38 through 108 )H0
13X-RAY DIFFRACTION13chain 'H' and (resid 109 through 123 )H0
14X-RAY DIFFRACTION14chain 'H' and (resid 124 through 214 )H0
15X-RAY DIFFRACTION15chain 'H' and (resid 215 through 243 )H0
16X-RAY DIFFRACTION16chain 'A' and (resid 1 through 13 )A0
17X-RAY DIFFRACTION17chain 'A' and (resid 14 through 25 )A0
18X-RAY DIFFRACTION18chain 'A' and (resid 26 through 42 )A0
19X-RAY DIFFRACTION19chain 'A' and (resid 43 through 75 )A0
20X-RAY DIFFRACTION20chain 'A' and (resid 76 through 91 )A0
21X-RAY DIFFRACTION21chain 'A' and (resid 92 through 108 )A0
22X-RAY DIFFRACTION22chain 'A' and (resid 109 through 120 )A0
23X-RAY DIFFRACTION23chain 'A' and (resid 121 through 150 )A0
24X-RAY DIFFRACTION24chain 'A' and (resid 151 through 165 )A0
25X-RAY DIFFRACTION25chain 'A' and (resid 166 through 185 )A0
26X-RAY DIFFRACTION26chain 'A' and (resid 186 through 198 )A0
27X-RAY DIFFRACTION27chain 'B' and (resid 3 through 37 )B0
28X-RAY DIFFRACTION28chain 'B' and (resid 38 through 94 )B0
29X-RAY DIFFRACTION29chain 'B' and (resid 95 through 108 )B0
30X-RAY DIFFRACTION30chain 'B' and (resid 109 through 123 )B0
31X-RAY DIFFRACTION31chain 'B' and (resid 124 through 161 )B0
32X-RAY DIFFRACTION32chain 'B' and (resid 162 through 187 )B0
33X-RAY DIFFRACTION33chain 'B' and (resid 188 through 224 )B0
34X-RAY DIFFRACTION34chain 'B' and (resid 225 through 242 )B0
35X-RAY DIFFRACTION35chain 'C' and (resid 1 through 83 )C0
36X-RAY DIFFRACTION36chain 'C' and (resid 84 through 171 )C0
37X-RAY DIFFRACTION37chain 'C' and (resid 172 through 216 )C0
38X-RAY DIFFRACTION38chain 'C' and (resid 217 through 237 )C0
39X-RAY DIFFRACTION39chain 'C' and (resid 238 through 269 )C0
40X-RAY DIFFRACTION40chain 'D' and (resid 1 through 11 )D0
41X-RAY DIFFRACTION41chain 'D' and (resid 12 through 19 )D0
42X-RAY DIFFRACTION42chain 'D' and (resid 20 through 30 )D0
43X-RAY DIFFRACTION43chain 'D' and (resid 31 through 41 )D0
44X-RAY DIFFRACTION44chain 'D' and (resid 42 through 51 )D0
45X-RAY DIFFRACTION45chain 'D' and (resid 52 through 61 )D0
46X-RAY DIFFRACTION46chain 'D' and (resid 62 through 71 )D0
47X-RAY DIFFRACTION47chain 'D' and (resid 72 through 77 )D0
48X-RAY DIFFRACTION48chain 'D' and (resid 78 through 84 )D0
49X-RAY DIFFRACTION49chain 'D' and (resid 85 through 90 )D0
50X-RAY DIFFRACTION50chain 'D' and (resid 91 through 98 )D0
51X-RAY DIFFRACTION51chain 'E' and (resid 1 through 84 )E0
52X-RAY DIFFRACTION52chain 'E' and (resid 85 through 171 )E0
53X-RAY DIFFRACTION53chain 'E' and (resid 172 through 195 )E0
54X-RAY DIFFRACTION54chain 'E' and (resid 196 through 216 )E0
55X-RAY DIFFRACTION55chain 'E' and (resid 217 through 245 )E0
56X-RAY DIFFRACTION56chain 'E' and (resid 246 through 269 )E0
57X-RAY DIFFRACTION57chain 'F' and (resid 1 through 11 )F0
58X-RAY DIFFRACTION58chain 'F' and (resid 12 through 19 )F0
59X-RAY DIFFRACTION59chain 'F' and (resid 20 through 51 )F0
60X-RAY DIFFRACTION60chain 'F' and (resid 52 through 61 )F0
61X-RAY DIFFRACTION61chain 'F' and (resid 62 through 71 )F0
62X-RAY DIFFRACTION62chain 'F' and (resid 72 through 77 )F0
63X-RAY DIFFRACTION63chain 'F' and (resid 78 through 90 )F0
64X-RAY DIFFRACTION64chain 'F' and (resid 91 through 97 )F0

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