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- PDB-9y0u: Crystal structure of human MAIT A-F7 TCR-MR1*03-5-OP-RU complex -

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Basic information

Entry
Database: PDB / ID: 9y0u
TitleCrystal structure of human MAIT A-F7 TCR-MR1*03-5-OP-RU complex
Components
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related protein 1
  • TCR alpha chain
  • TCR beta chain
KeywordsIMMUNE SYSTEM / MAIT TCR / MR1 / metabolite presentation
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 / beta-2-microglobulin binding / antigen processing and presentation of peptide antigen via MHC class I / T cell receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / Endosomal/Vacuolar pathway ...positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / beta-2-microglobulin binding / antigen processing and presentation of peptide antigen via MHC class I / T cell receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / Endosomal/Vacuolar pathway / T cell mediated cytotoxicity / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / regulation of iron ion transport / cellular response to iron(III) ion / negative regulation of iron ion transport / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / peptide antigen assembly with MHC class I protein complex / ER to Golgi transport vesicle membrane / regulation of erythrocyte differentiation / response to molecule of bacterial origin / HFE-transferrin receptor complex / MHC class I peptide loading complex / transferrin transport / cellular response to iron ion / negative regulation of receptor-mediated endocytosis / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / MHC class I protein complex / peptide antigen assembly with MHC class II protein complex / negative regulation of neurogenesis / cellular response to nicotine / MHC class II protein complex / positive regulation of receptor-mediated endocytosis / multicellular organismal-level iron ion homeostasis / positive regulation of T cell mediated cytotoxicity / specific granule lumen / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / peptide antigen binding / phagocytic vesicle membrane / recycling endosome membrane / positive regulation of T cell activation / Interferon gamma signaling / negative regulation of epithelial cell proliferation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Modulation by Mtb of host immune system / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / MHC class II protein complex binding / T cell differentiation in thymus / DAP12 signaling / late endosome membrane / negative regulation of neuron projection development / protein refolding / ER-Phagosome pathway / early endosome membrane / amyloid fibril formation / protein homotetramerization / defense response to Gram-negative bacterium / intracellular iron ion homeostasis / learning or memory / defense response to Gram-positive bacterium / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / external side of plasma membrane / innate immune response / lysosomal membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / : / extracellular exosome / extracellular region / membrane / identical protein binding / plasma membrane / cytosol
Similarity search - Function
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 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
ACETIC ACID / Chem-Q87 / Beta-2-microglobulin / Major histocompatibility complex class I-related protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsLetoga, V. / Rossjohn, J. / Awad, W.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC)DE220101491 Australia
CitationJournal: J.Biol.Chem. / Year: 2026
Title: Allelic variation alters expression and antigen presentation of MR1 allomorphs.
Authors: Nelson, A.G. / Letoga, V. / Lee, C.Z.Q. / Samer, C. / Li, S. / Meehan, L.J. / McWilliam, H.E.G. / Gherardin, N.A. / Abendroth, A. / Villadangos, J.A. / Slobedman, B. / Corbett, A.J. / ...Authors: Nelson, A.G. / Letoga, V. / Lee, C.Z.Q. / Samer, C. / Li, S. / Meehan, L.J. / McWilliam, H.E.G. / Gherardin, N.A. / Abendroth, A. / Villadangos, J.A. / Slobedman, B. / Corbett, A.J. / McCluskey, J. / Rossjohn, J. / Chen, Z. / Souter, M.N.T. / Awad, W.
History
DepositionAug 29, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 13, 2026Provider: repository / Type: Initial release
Revision 1.1Jun 3, 2026Group: Database references / Category: citation / Item: _citation.journal_volume

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Major histocompatibility complex class I-related protein 1
B: Beta-2-microglobulin
C: Major histocompatibility complex class I-related protein 1
D: TCR alpha chain
E: TCR beta chain
F: Beta-2-microglobulin
G: TCR alpha chain
H: TCR beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)189,69424
Polymers188,0728
Non-polymers1,62216
Water19,4561080
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)215.964, 69.919, 142.677
Angle α, β, γ (deg.)90.000, 104.326, 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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Protein , 4 types, 8 molecules ACBFDGEH

#1: Protein Major histocompatibility complex class I-related protein 1 / MHC class I-related protein 1 / Class I histocompatibility antigen-like protein


Mass: 31697.643 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MR1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q95460
#2: Protein Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 2 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#3: Protein TCR alpha chain


Mass: 22781.268 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#4: Protein TCR beta chain


Mass: 27677.760 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)

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Non-polymers , 6 types, 1096 molecules

#5: Chemical ChemComp-ACY / ACETIC ACID


Mass: 60.052 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H4O2
#6: Chemical ChemComp-Q87 / 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol


Mass: 330.294 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C12H18N4O7 / Feature type: SUBJECT OF INVESTIGATION
#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#9: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1080 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
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: 2.77 Å3/Da / Density % sol: 55.67 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: PEG 3350, BTP, CaCl2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9536 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 2, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9536 Å / Relative weight: 1
ReflectionResolution: 2.1→47.79 Å / Num. obs: 119799 / % possible obs: 99.4 % / Redundancy: 3.4 % / Biso Wilson estimate: 38 Å2 / CC1/2: 0.998 / Net I/σ(I): 11.3
Reflection shellResolution: 2.1→2.14 Å / Num. unique obs: 5945 / CC1/2: 0.918

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→47.79 Å / SU ML: 0.2319 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.9974
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1874 1996 1.67 %
Rwork0.1614 117660 -
obs0.1618 119656 99.14 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 47.14 Å2
Refinement stepCycle: LAST / Resolution: 2.1→47.79 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12680 0 104 1080 13864
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002413493
X-RAY DIFFRACTIONf_angle_d0.583318436
X-RAY DIFFRACTIONf_chiral_restr0.04471977
X-RAY DIFFRACTIONf_plane_restr0.00462417
X-RAY DIFFRACTIONf_dihedral_angle_d12.71094852
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1-2.150.3021430.25498390X-RAY DIFFRACTION99.79
2.15-2.210.241430.22628412X-RAY DIFFRACTION99.74
2.21-2.280.26341420.2138402X-RAY DIFFRACTION99.59
2.28-2.350.25371430.2068405X-RAY DIFFRACTION99.78
2.35-2.430.23961420.19968391X-RAY DIFFRACTION99.71
2.43-2.530.26761430.19628414X-RAY DIFFRACTION99.65
2.53-2.650.24431430.19258417X-RAY DIFFRACTION99.57
2.65-2.790.20061420.18498424X-RAY DIFFRACTION99.5
2.79-2.960.2061410.17618371X-RAY DIFFRACTION99.47
2.96-3.190.20261440.16668411X-RAY DIFFRACTION99.04
3.19-3.510.16861400.14718292X-RAY DIFFRACTION97.6
3.51-4.020.17931420.13868350X-RAY DIFFRACTION98.23
4.02-5.060.12771430.11888436X-RAY DIFFRACTION98.64
5.06-47.790.16481450.15928545X-RAY DIFFRACTION97.74
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)
12.69224753717-1.150886815840.2226620233663.828019244060.2616931206271.971190634760.0641596714750.1607151732090.207031775607-0.333990877207-0.000217948600199-0.3069793689360.01470269270790.245080477848-0.05046150848970.205186424041-0.07136072550930.003659429169490.2676561292940.004656784539570.23546984468750.062464362577.4138415608223.122655192
22.59200576222-0.562721195589-0.218113999456.94695450522-0.8577345193971.36615326316-0.042711409463-0.07598166441360.08540053145270.03880773497890.05442056825140.271731450719-0.0525469107634-0.0582021622724-0.002393187245880.209939354304-0.0388997059327-0.02423793014120.221701218489-0.007864304564780.17192303199138.023224996780.6225061382234.056359754
35.037654950580.8683067687522.961327214533.069881572291.740297333834.846328774520.1041832570370.210667583009-0.1245095879480.121462195360.323039795997-0.4685999007420.1860490100660.545996910113-0.4802887943750.2675528897680.05314387197460.002599341460680.311640076630.003752594980980.27851437345263.128625941170.5618321456242.921138319
43.643233965941.229139484160.5299063234821.97637289267-0.04447167319523.42825465235-0.0664331923624-0.546143695450.7010054960440.378407507096-0.1117332656990.0546524562126-0.543765807648-0.2118412864530.1710513018390.3894305816520.152543444685-0.1044727331660.579872244663-0.184625487320.527853174267.024900377479.3719089759255.849439304
52.00018305111.999992867253.660577796021.999838839832.000354097311.999903129350.381117828817-1.02133242601-8.613416304675.929922904950.5503755012510.99786253952111.8100706764-0.526354838362-0.936637663982-0.0530779811226-0.0859369152878-0.354091582670.729047920147-0.3075426454940.92567245848278.951677013379.3806107699265.942038363
64.46547742124-5.757237593922.688569500487.51731887839-3.138073479352.81310133984-0.3984065590610.4518393827790.7688206839510.6839074726850.0869590930902-0.0688404868452-0.4135646708460.4007054416860.3041265384130.425559021044-0.0652175878877-0.009871757001810.473055625639-0.1069003467170.68472361721461.5572116892.3562263549237.441352053
72.760167066621.361599559530.4933574272160.8835462184130.4837371738350.386354456787-0.446784247793-0.0339518733451-0.5797311618670.2726693830630.0277616282701-1.152897168150.01543399765931.716111794350.2292806829960.4135412238160.0525184623389-0.3291336210620.99105991228-0.01551696205131.0780276541382.272181641879.6195623765240.391253664
80.321671677129-1.39993344729-0.06977967090496.221434504640.4653411658983.79875242628-0.1881983811680.0917560357720.753043364935-0.2758391110030.414264957551-0.8428870810340.09672466282530.622026197364-0.2219909947520.286652931065-0.0888955948155-0.02984400278870.55167333823-0.02910789843220.55383793258770.202721293185.007844751235.334637937
97.8048747405-0.01606848135142.009869684011.576147211720.1078617406831.081461144830.06300769902450.8345275918961.56776208204-0.458666028047-0.0582580567215-0.375060922519-0.3312936213270.655662216966-0.02233820585340.423380823576-0.1850391328940.03182956935570.6312351749440.1000103451510.64840277921366.185374266392.5185432857228.904575362
103.100831890813.98262183595-2.695677464925.17277360131-3.477956596342.35346522357-0.5140381537051.363639649420.569816516838-0.659507785580.512366232489-0.9935432496090.02862544966191.33193555472-0.02316964771780.401686540519-0.1667079595420.02711137508430.973741941984-0.1164472586651.0078777775176.506849861188.7165801685226.506285361
116.4299551317-4.03226761624-5.550780823416.949477289053.788691001116.781027207680.269260092018-0.1357424364260.770419875366-0.0385052725820.354220342812-0.5017767687310.09233816256570.627315000555-0.6238220337210.271679081205-0.0342291274526-0.03152441648770.329681729218-0.03334124424320.38820422849255.089386759983.7210404672232.569268807
122.05805072122-2.56852316819-0.6303905962423.64750290545-0.4685269554265.03652852903-0.479824110361.53429406210.0707715389114-0.2076040726820.168131760524-0.8081558671690.14674308110.7039844019870.296444128260.32546029439-0.1088348143580.02448341755080.573924256926-0.07652845545580.60347306389970.827880431483.7492242892231.64861867
132.117226998261.59016076736-0.135468269841.232174502320.2057883595632.45545758368-0.03991211380630.313741665151.1744409996-0.02811288588290.133632022038-0.774401550126-0.616794825820.949312515496-0.04661636220030.503137022692-0.230582155421-0.05613800485780.721187472840.02460233583181.1551699306872.801386572195.5728845464233.295434077
147.74928987646-4.47758518997-3.75831865818.671690242010.3304342717716.17250966203-1.228574733-0.3517173713890.2659864087790.1740783893150.763179074925-1.1537658615-0.5509255706680.8093237755310.45735864420.392712584081-0.170980806093-0.1328829921990.664024482301-0.1418768790170.95382181264875.807389909192.9867707842239.650480996
152.3829885303-0.03405050471470.5792239126654.871135360691.001144482025.677973516-0.06175444985160.1473101586840.264037303072-0.0995296125156-0.1463046260140.48105007985-0.38717004827-0.2223369845410.206827084080.1788309472130.0103501073643-0.002913610629030.2091110911460.002441821892480.270128601421-6.6272358356366.6541827391162.666667978
161.278221371890.0112590222881-0.01430248925941.98981543619-0.3029217267481.661925963650.01000532356110.0840418601358-0.07213172117480.0428490618713-0.09158276242550.003210414047240.05470329656750.1063365965710.08229027306140.232365544853-0.0252418629842-0.01245867518010.272141824643-0.02742360230.2384649353812.2954837543755.9401974047166.085077083
173.281979488940.742690332712-2.298301707181.04119478904-0.7529146412983.532892850780.0975963317199-0.211407081847-0.03104861626090.0408488949063-0.08810928634380.131340755226-0.1515313934230.0189929821892-0.01135025546620.3812166917760.0287172494048-0.02460781118820.207185015609-0.01962227919680.355473416719-20.379079778772.0405423886188.582119303
183.04653390537-0.590854691941.157274197424.129969230841.088353327795.69023579360.197083689998-0.269113619922-0.07442318883070.63401707566-0.032636431911-0.07063815030150.075326402505-0.405145238553-0.1733701369020.4027477039260.0148642903159-0.0309521455640.21386996933-0.00182393037060.345706508254-19.82387725572.8953243238194.535637432
192.00012848681.999918885551.999878518312.000119556931.999921292271.999975019554.2616141466-2.5827325529311.56520104954.06058070773-4.35324269405-14.5404615875-14.648514499310.13575196610.07487039516050.6431374704370.1645547158610.2482571783080.714012926479-0.02705023223351.6285689927-29.350585112177.808603646202.615903011
204.67263330785-4.734044087781.90237929874.45188917435-1.612666809952.04928663144-0.1477776300140.0456552672518-0.07122898793710.10636755630.0236148683620.0367842362873-0.2080040975020.565544801390.1303067258930.340327466521-0.0791601919407-0.01247005459840.6114389146290.1189322107470.41941952928436.09992373966.1185485262156.542129744
213.38386413771-0.460133373776-1.610921477311.626968092150.7959007636972.47588740721-0.0653493371651-0.02645418291170.0605038203746-0.068689071947-0.0521407015054-0.172162469656-0.1188142860360.2196909989030.1098561281410.303615447538-0.0659445343676-0.04794911509750.3739225132680.08089391113860.29747845670625.484131358961.7971268106158.269863701
227.30748524823-5.64657836068-4.209556137729.169220411763.48508103065.973068432460.080587898664-0.12104960191-0.2068396438140.201466291968-0.005791620325690.02529721189520.2824819785130.242683911441-0.07508319252170.274627541815-0.0635918153189-0.07593604192530.4008432851820.04923825138030.29121097702829.688457187659.6172303269165.744520192
235.26996471528-5.01718531871-2.785006900676.374689009963.183259650323.25205606821-0.08466929211330.0706414457826-0.1464702633720.1205774216020.0350517886486-0.1257778101180.1249532741280.4926982328270.03298473749550.305590918351-0.116563622744-0.04306158171570.50543021020.1081463775330.27072835037734.193028564258.0394814391155.148948446
244.55902893705-2.39468509628-5.163290754521.880864239581.778159959645.250313398610.1170468776840.06308388942920.436748022501-0.04333335819320.0526986738516-0.3177019306290.08246163523580.459741232056-0.1222535181860.333480002687-0.11866016736-0.0665891248660.3726176125570.08154636071320.32716368322734.960737810862.7318923991152.979390405
256.876804999450.6589454424050.6624595789435.968667772460.4600555681188.976962951190.1733381309230.1232076920810.320697037421-0.2893616880410.0202438486193-0.437460849543-0.09259303672461.25668600227-0.1762278428870.372990145440.0457120455190.04429262124120.5705073806480.01731387681920.45119980367854.805260190462.200326322135.964652629
267.558000163961.569808264633.897075492437.82010494236-3.249325765334.21341998483-0.2146809426340.1941250928411.08227349410.238388957558-0.873873482318-1.256092461360.1095332061451.059675422351.115531043790.504263560913-0.03769530005230.01490289568610.878791032375-0.007158324462390.81250078067664.332935994465.3588780681141.917266465
274.120516431450.333936459938-1.305757075092.30860099449-0.7866405232683.49754062598-0.1203874317680.431982468503-0.040852683273-0.2954221489890.01420857871420.03142886613350.0929364589932-0.3865660830810.09480017491680.307924245631-0.063351456913-0.05360257081290.4450632800670.0290641909860.23328548192313.967763802160.6083808651139.37132478
286.181395371121.13859729886-5.646710403491.54992624812-2.027562931736.728833993910.1891184965330.2890875746850.3204476323180.02729627182280.06693538919560.144405724705-0.406964365316-0.3177220506-0.2419185151690.326567151918-0.0773338491183-0.0438642581860.327680020574-0.006627014405120.25532656712419.880086983362.168986701137.349495839
296.36498677222-0.9738080078282.111877197723.44800441638-0.3408742843924.556921138570.3396495566110.403662461671-0.861880119878-0.1483021357560.0650928910901-0.09611985115780.8040813145780.576926709158-0.3691292241870.5458428164820.07997192392980.006371542388580.437958660671-0.03263127015580.36602801156744.220185578354.8863578311127.927152757
306.78176286107-4.71704827733-0.3709549640089.651317477371.176833219663.45672038647-0.1081142656960.01965096602290.3615481876380.25921436852-0.1092141400260.0745162970611-0.343952750155-0.3466511304550.1812328211080.235243320435-0.00137189598802-0.04556013293870.22573865707-0.03387049148510.225803696677-26.032988641867.2193301611173.821991602
315.70049008835-5.02027254551-2.309348468576.724304077231.57812905791.370839517170.2096885230520.719867520879-0.143814564395-0.70851088377-0.1926550630.412520761182-0.222093147613-0.27982666655-0.0379753028160.373163256286-0.0302212495778-0.06346961818240.327516947434-0.001146310471030.286714806532-23.611162100363.7774271018165.012354064
325.40358176297-6.36990468546-3.045359616927.384949729673.657841564067.64030004830.3172488126850.9785764138390.743740329671-0.778873518652-0.410529978239-0.163804716743-0.642604926526-0.2711279588090.05396915725290.322998808656-0.0454514364671-0.01303091226840.2562327774120.005858941545460.399701153633-24.291004854670.0851670382168.22527129
333.61259100701-1.94957030189-0.3680367424527.924862407681.659577843553.26400097460.1471690467750.459437450634-0.183132618526-0.633246230697-0.4512640514141.19508266176-0.116029314799-0.7869996251760.332888273960.285011265767-0.0345178032064-0.1087530150160.394635568973-0.05042998315410.4686990799-34.040154077162.2652402227168.693756676
342.12301913399-1.15962448227-1.024526726213.664958828245.819276580459.603748344660.180403563876-0.4782700045510.6376881937740.333442026011-0.1693839279260.200235059891-0.592519175378-0.7387175163740.01714223036170.3643278836070.04027929207380.01568001224320.409869348667-0.09718614060220.474730240559-34.947245322166.2588143608175.753412871
357.11907039993-2.51191876073-0.1919838821282.42789560638-0.3145405013061.90818970918-0.06609319177650.3655604001340.212835480632-0.03503188879970.03016053449820.0833766938988-0.1300425444740.166333310620.03645097873010.381232627295-0.0901706345926-0.05138157949920.2454146357660.03709734832880.296305210820.348610553150.3707281004219.503147501
365.258885923171.301277089253.698926786232.153861336911.638892192574.076563709160.02382196993750.173653647489-0.148439247503-0.02350818750420.0681843383980.2565009892750.1125518060610.102613650276-0.08557712410880.276905801314-0.0413568638526-0.02468794518260.1891695448980.05281179550380.26764796665525.546013104660.2022965178221.419501538
373.9344324707-0.7619770007344.981521607382.72643493618-0.2905045140456.406265250160.0440799240647-0.697046487355-0.3275281642030.03620655397210.0741765902540.249095671731-0.121499660913-0.415283210749-0.1201748808070.345427074414-0.06267464299330.005037428057780.2682320551730.05807669414030.37544411831321.171820745358.8390724085229.24916725
386.069333410381.0550659150.6388573938980.381275336621-0.4264545575433.16555993661-0.1113663186630.3729902460810.258021198275-0.1639807710530.1050264162870.2179418355140.0476796376462-0.1885269152760.01491270588390.373193053961-0.0371782970673-0.06403040791320.1980826460850.02064940586810.35922626176316.534643146658.1877804427217.956545699
394.94649615424.774634329764.047200464574.451769256472.945767152013.83476966956-0.171039140530.670340234499-0.586452954043-0.2689581399070.363622311163-0.460965926967-0.1302785345730.377934051737-0.1309605253890.381541090417-0.0235963006519-0.05770122807550.2586039026710.03462525859610.34508555765328.589869153157.6970051841217.362251047
407.470648597310.3765021467381.044847440017.80614878688-6.317101003715.62561267466-0.0118801175103-0.8893046075820.3631821920210.186624045172-0.589973935830.20028789176-0.229021810478-0.5763291688940.5745312874940.310607554255-0.0315290036977-0.09560653898190.2838431316960.02090463720590.412736121275-5.6623195037845.5663707876207.343189313
411.974680996040.287256460867-2.613213649110.746224968454-1.33354485225.57864889757-0.04720378192410.286728466165-0.16932906869-0.504887920916-0.008039438695990.22289693630.0568642427302-0.1669752897430.01072225589440.627282985397-0.0371208821157-0.08968889280540.258513922504-0.005648020524520.332014030155-1.1849794458545.7580777493189.245630387
426.214242417881.38770901074-5.748916207450.916907303267-0.2735270505177.64250530297-0.255166204701-0.464066478052-0.407921922455-0.221718706873-0.09031546563540.007374332662820.8261866747250.7774071636840.3589231838110.5778147542120.0537634054997-0.08834382277440.3460543068810.09000668575950.4214301528076.5537013369439.9811514127201.391235618
439.18255753777-5.699131581483.538268446687.05275223252-3.786896502147.45052788594-0.546564331471-0.328419972050.773987991530.6622646977280.4093820477690.21713815504-0.669415862838-0.2856001830840.1733825383450.483710630728-0.09253044737860.03379434846710.396368186589-0.03504897784740.47789783877-1.763633131456.672309285207.632145929
446.38335534707-4.5159212466-4.354233899845.916380605934.52212820883.70370293931-0.0387787068345-0.1806353906110.48585463472-0.4242092267790.282686269933-0.224082954831-0.0110129683-0.126166024369-0.3863989791630.400055174861-0.00233656566145-0.04144242913240.2451749033710.02624399092010.3694829461511.2909916166747.7244117808201.260438254
457.488691491495.14195191506-5.697414752634.1071446002-3.408420333784.74493673491-0.8732671483110.797724081423-0.970405033179-0.8521693377990.496005281313-0.3725712244191.4575591676-0.5580666012530.3999482918480.755630307026-0.0638633461835-0.01933110023310.364249180665-0.1319823515150.5975979299870.91649505172935.0701434966190.308405247
469.64699420815-3.515781832342.134074951317.71786549282-4.002260378045.634374167030.3604841509110.0118809806343-1.21793834463-0.837890091346-0.02173901661230.2353809969971.06709862889-0.0386575108732-0.3295333476420.604279448556-0.0497749063479-0.05162465205170.3023649484540.03958332452760.468143743027-4.179896318835.8054162524202.389730216
471.606267699880.1561165383921.941596928726.798228845975.348125593318.06205942907-0.0552306246120.4674028496330.135260436366-0.926549770149-0.2184371354010.290148609371-0.8040402215090.1956884214110.2715973238590.565203546211-0.0850318612226-0.1195580425180.4780854650590.06533386050060.32996834209629.37847721767.1234420493195.221458292
483.182557134490.4615162243470.1303266947733.899282992762.30873049512.47008991827-0.005637577943840.2472079472320.0939820046275-0.3366919441120.07916737665261.49928458442E-6-0.2514848255280.302035445047-0.06705852140120.40024402769-0.0837065007506-0.08177143022080.3128988495350.06539279545520.22255306788734.812598313367.4886742073205.904999398
494.220885216542.85757294663.302592763522.962941485662.759669311227.269119082050.07338401108080.263108120467-0.3013856963320.2213960286880.226652641818-0.2525752272590.2425005893731.14765645006-0.3048046352490.4838940125840.0164105848991-0.1175823069930.421382373378-0.01071716114380.33688042766626.105491507654.4880954008188.641673654
509.04543415756-0.114107800408-2.810412552820.905021489333-0.3154634004342.756000261150.00963690432948-0.531879610893-0.142361453722-0.02573885776030.00746477159627-0.0489382720932-0.02919055028890.3014105484110.005111431270250.420590051541-0.0211216257697-0.05605882845480.1975896274570.009270315373450.2341998584164.6008963273153.4403294004194.641734783
512.03304357170.498045179339-0.5172176058660.2380684583340.2589028976910.8617841890410.3750729467490.6357852582310.828248248527-0.290818605984-0.06331824137730.230683181761-0.309469507453-0.0534336077826-0.227720550130.5434151933380.0180557159258-0.03314452985650.3173458336510.08094871789380.467438203018-1.4987914457761.7501718909189.438029359
523.677398705490.177312563863-3.079188935630.3789375807950.1499131390684.266315709850.175948875820.009122080534070.1896894430750.0525178015093-0.06504274103110.0177418182709-0.2165365140220.267052842387-0.1062455203960.445099985925-0.0293974567818-0.07700333420060.3013300257450.05707112390190.28931740545115.59800005758.8529417511181.516583637
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 0 through 84 )AA0 - 841 - 85
22chain 'A' and (resid 85 through 158 )AA85 - 15886 - 159
33chain 'A' and (resid 159 through 205 )AA159 - 205160 - 202
44chain 'A' and (resid 206 through 269 )AA206 - 269203 - 266
55chain 'A' and (resid 270 through 270 )AA270267
66chain 'B' and (resid 0 through 11 )BD0 - 111 - 12
77chain 'B' and (resid 12 through 19 )BD12 - 1913 - 20
88chain 'B' and (resid 20 through 30 )BD20 - 3021 - 31
99chain 'B' and (resid 31 through 41 )BD31 - 4132 - 42
1010chain 'B' and (resid 42 through 51 )BD42 - 5143 - 52
1111chain 'B' and (resid 52 through 61 )BD52 - 6153 - 62
1212chain 'B' and (resid 62 through 71 )BD62 - 7163 - 72
1313chain 'B' and (resid 72 through 90 )BD72 - 9073 - 91
1414chain 'B' and (resid 91 through 97 )BD91 - 9792 - 98
1515chain 'C' and (resid 0 through 55 )CE0 - 551 - 56
1616chain 'C' and (resid 56 through 171 )CE56 - 17157 - 172
1717chain 'C' and (resid 172 through 237 )CE172 - 237173 - 238
1818chain 'C' and (resid 238 through 269 )CE238 - 269239 - 266
1919chain 'C' and (resid 270 through 270 )CE270267
2020chain 'D' and (resid 2 through 17 )DG2 - 172 - 17
2121chain 'D' and (resid 18 through 52 )DG18 - 5218 - 52
2222chain 'D' and (resid 53 through 75 )DG53 - 7553 - 75
2323chain 'D' and (resid 76 through 91 )DG76 - 9176 - 91
2424chain 'D' and (resid 92 through 116 )DG92 - 11692 - 116
2525chain 'D' and (resid 117 through 188 )DG117 - 188117 - 187
2626chain 'D' and (resid 189 through 198 )DG189 - 198188 - 197
2727chain 'E' and (resid 3 through 73 )EH3 - 731 - 71
2828chain 'E' and (resid 74 through 124 )EH74 - 12472 - 122
2929chain 'E' and (resid 125 through 243 )EH125 - 243123 - 241
3030chain 'F' and (resid 0 through 30 )FI0 - 301 - 31
3131chain 'F' and (resid 31 through 61 )FI31 - 6132 - 62
3232chain 'F' and (resid 62 through 71 )FI62 - 7163 - 72
3333chain 'F' and (resid 72 through 90 )FI72 - 9073 - 91
3434chain 'F' and (resid 91 through 98 )FI91 - 9892 - 99
3535chain 'G' and (resid 2 through 17 )GJ2 - 171 - 16
3636chain 'G' and (resid 18 through 52 )GJ18 - 5217 - 51
3737chain 'G' and (resid 53 through 75 )GJ53 - 7552 - 74
3838chain 'G' and (resid 76 through 91 )GJ76 - 9175 - 90
3939chain 'G' and (resid 92 through 108 )GJ92 - 10891 - 107
4040chain 'G' and (resid 109 through 120 )GJ109 - 120108 - 119
4141chain 'G' and (resid 121 through 135 )GJ121 - 135120 - 134
4242chain 'G' and (resid 136 through 155 )GJ136 - 155135 - 154
4343chain 'G' and (resid 156 through 165 )GJ156 - 165155 - 164
4444chain 'G' and (resid 166 through 175 )GJ166 - 175165 - 174
4545chain 'G' and (resid 176 through 185 )GJ176 - 185175 - 184
4646chain 'G' and (resid 186 through 200 )GJ186 - 200185 - 199
4747chain 'H' and (resid 1 through 25 )HK1 - 251 - 25
4848chain 'H' and (resid 26 through 109 )HK26 - 10926 - 109
4949chain 'H' and (resid 110 through 124 )HK110 - 124110 - 124
5050chain 'H' and (resid 125 through 202 )HK125 - 202125 - 202
5151chain 'H' and (resid 203 through 215 )HK203 - 215203 - 215
5252chain 'H' and (resid 216 through 244 )HK216 - 244216 - 244

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