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- PDB-26sl: crystal structure of MAIT A-F7 TCR-MR1-xanthosine -

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Basic information

Entry
Database: PDB / ID: 26sl
Titlecrystal structure of MAIT A-F7 TCR-MR1-xanthosine
Components
  • (Human A-F7 TCR ...) x 2
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related gene protein
KeywordsIMMUNE SYSTEM / MAIT cells / MR1 / antigen presentation
Function / homology
Function and homology information


antigen processing and presentation of exogenous antigen / positive regulation of T cell mediated cytotoxicity directed against tumor cell target / MHC class I receptor activity / T cell differentiation in thymus / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / regulation of natural killer cell mediated immunity / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression ...antigen processing and presentation of exogenous antigen / positive regulation of T cell mediated cytotoxicity directed against tumor cell target / MHC class I receptor activity / T cell differentiation in thymus / antigen processing and presentation of peptide antigen via MHC class I / beta-2-microglobulin binding / T cell receptor binding / regulation of natural killer cell mediated immunity / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / regulation of iron ion transport / negative regulation of iron ion transport / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous peptide antigen via MHC class Ib / peptide antigen assembly with MHC class I protein complex / ER to Golgi transport vesicle membrane / HFE-transferrin receptor complex / MHC class I peptide loading complex / transferrin transport / negative regulation of receptor-mediated endocytosis / cellular response to iron ion / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / peptide antigen assembly with MHC class II protein complex / MHC class I protein complex / negative regulation of epithelial cell proliferation / cellular response to nicotine / negative regulation of neurogenesis / positive regulation of receptor-mediated endocytosis / MHC class II protein complex / specific granule lumen / positive regulation of immune response / antigen processing and presentation of exogenous peptide antigen via MHC class II / peptide antigen binding / recycling endosome membrane / phagocytic vesicle membrane / positive regulation of T cell activation / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / sensory perception of smell / Modulation by Mtb of host immune system / tertiary granule lumen / positive regulation of cellular senescence / MHC class II protein complex binding / DAP12 signaling / late endosome membrane / ER-Phagosome pathway / early endosome membrane / defense response to Gram-negative bacterium / amyloid fibril formation / protein homotetramerization / intracellular iron ion homeostasis / learning or memory / defense response to Gram-positive bacterium / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / external side of plasma membrane / Golgi membrane / innate immune response / focal adhesion / lysosomal membrane / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / : / extracellular exosome / extracellular region / membrane / identical protein binding / plasma membrane
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
: / ACETATE ION / 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: 2.49 Å
AuthorsAwad, W. / Rossjohn, J.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC) Australia
CitationJournal: J.Biol.Chem. / Year: 2026
Title: The MHC-I related protein 1 MR1 can bind host purine catabolites.
Authors: Abdelaal, M.R. / Lim, X.Y. / Mak, J.Y.W. / Fairlie, D.P. / McCluskey, J. / Corbett, A.J. / Gherardin, N.A. / Awad, W. / Rossjohn, J.
History
DepositionMay 13, 2026Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Aug 26, 2026Provider: repository / Type: Initial release

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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 gene protein
B: Beta-2-microglobulin
C: Major histocompatibility complex class I-related gene protein
D: Human A-F7 TCR TRAV1-2_ALPHA
E: Human A-F7 TCR TRBV6-1_BETA
F: Beta-2-microglobulin
G: Human A-F7 TCR TRAV1-2_ALPHA
H: Human A-F7 TCR TRBV6-1_BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)209,39722
Polymers207,9688
Non-polymers1,42814
Water11,115617
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23560 Å2
ΔGint-126 kcal/mol
Surface area69020 Å2
MethodPISA
Unit cell
Length a, b, c (Å)217.299, 71.004, 143.942
Angle α, β, γ (deg.)90.000, 104.794, 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 , 2 types, 4 molecules ACBF

#1: 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 / Mutation: C261S
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
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M / Production host: Escherichia coli (E. coli) / References: UniProt: P61769

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Human A-F7 TCR ... , 2 types, 4 molecules DGEH

#3: Protein Human A-F7 TCR TRAV1-2_ALPHA


Mass: 32715.451 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 Human A-F7 TCR TRBV6-1_BETA


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 , 5 types, 631 molecules

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


Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H3O2
#7: Chemical ChemComp-A1MHZ / 9-[(2~{S},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-purine-2,6-dione


Mass: 284.225 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H12N4O6 / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 617 / 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: 2.58 Å3/Da / Density % sol: 52.35 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / Details: PEG 3350, BTP, Ca chloride

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9322 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 10, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9322 Å / Relative weight: 1
ReflectionResolution: 2.49→48.26 Å / Num. obs: 140853 / % possible obs: 96.77 % / Redundancy: 1.8 % / Biso Wilson estimate: 49.59 Å2 / CC1/2: 0.992 / Net I/σ(I): 6.42
Reflection shellResolution: 2.49→2.52 Å / Num. unique obs: 4172 / CC1/2: 0.293

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Processing

Software
NameVersionClassification
PHENIX2.0_5936refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.49→48.26 Å / SU ML: 0.3517 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 24.4931
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2143 3828 2.72 %
Rwork0.1836 136990 -
obs0.1844 140818 96.77 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 56.75 Å2
Refinement stepCycle: LAST / Resolution: 2.49→48.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12695 0 94 617 13406
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002213408
X-RAY DIFFRACTIONf_angle_d0.580618317
X-RAY DIFFRACTIONf_chiral_restr0.04251959
X-RAY DIFFRACTIONf_plane_restr0.00342398
X-RAY DIFFRACTIONf_dihedral_angle_d13.66554845
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.49-2.520.35571100.36084056X-RAY DIFFRACTION77.9
2.52-2.560.41711470.3445167X-RAY DIFFRACTION97.72
2.56-2.590.34651420.31595144X-RAY DIFFRACTION97.69
2.59-2.630.32011420.30785138X-RAY DIFFRACTION97.74
2.63-2.670.32591410.29165121X-RAY DIFFRACTION97.9
2.67-2.710.32941450.28325084X-RAY DIFFRACTION97.87
2.71-2.750.33391470.27675101X-RAY DIFFRACTION97.51
2.75-2.80.32611440.27315128X-RAY DIFFRACTION97.76
2.8-2.850.26931420.27315174X-RAY DIFFRACTION97.9
2.85-2.910.30281390.24175064X-RAY DIFFRACTION98.08
2.91-2.970.31851480.22865185X-RAY DIFFRACTION97.76
2.97-3.030.24191410.2195103X-RAY DIFFRACTION97.58
3.03-3.10.23031440.20715089X-RAY DIFFRACTION95.91
3.1-3.180.22581450.20015031X-RAY DIFFRACTION97.48
3.18-3.260.23251420.19335140X-RAY DIFFRACTION96.97
3.26-3.360.25331410.18875013X-RAY DIFFRACTION95.32
3.36-3.470.18711400.17284946X-RAY DIFFRACTION94.91
3.47-3.590.17871410.16065139X-RAY DIFFRACTION98.53
3.59-3.740.18531430.1525194X-RAY DIFFRACTION98.54
3.74-3.910.21181430.14995160X-RAY DIFFRACTION98.26
3.91-4.110.16471480.14615149X-RAY DIFFRACTION98.22
4.11-4.370.16531430.12965121X-RAY DIFFRACTION97.9
4.37-4.710.15741410.12075144X-RAY DIFFRACTION97.87
4.71-5.180.1491450.14145150X-RAY DIFFRACTION98.09
5.18-5.930.1721460.16875060X-RAY DIFFRACTION96.6
5.93-7.460.25361400.18425009X-RAY DIFFRACTION96.35
7.46-48.260.191380.1725180X-RAY DIFFRACTION98.28
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.55269058119320.25345302973375-0.10932967647210.479410699597630.523129893013080.39223877813374-0.0363936854046650.151095880089130.044295459013807-0.127193456931120.16200981507169-0.038219313337913-0.0822669280976160.23446732449072-7.2846448847254E-90.3175196941411-0.041259288034677-0.00680602025850190.403344041025290.014528483338310.3722146606054648.47177702646377.962602333532224.28796654093
20.2942347196498-0.20072307514771-0.0289554195236220.290114940036660.225847106378310.312262493763450.086520113313298-0.120444547654060.143283376910650.096092782398123-0.0708954063381120.0531760252454540.0314575765237530.0025619697614564-1.157989036E-90.34410735359957-0.0083880100901717-0.00494610702907890.332762304887780.0283287950943750.4414499557451736.20690361174880.993321971942235.25044946716
30.15467430030587-0.0580045604457810.095954467050915-0.058817606325123-0.199586457379210.37027673173926-0.10007150277416-0.0312381805009820.0787221264826250.0711089122384370.0581626157500270.0610323198031330.076118982106430.150851873257583.5431610912694E-80.340189969223710.05880310576514-0.0931781191069850.38087220746523-0.0780075942290950.4186818923061761.62918451866874.551245326494248.06996603947
40.19689458723576-0.082663456679408-0.0241521140637180.14306252328947-0.143894553143630.13932670564514-0.050527584021625-0.0891787866568630.19878163315950.06631180330907-0.023028402080113-0.082619624197342-0.10674839733416-0.26006855467108-6.041937872183E-80.383617122837620.058026118773374-0.073750269415440.47925156337693-0.116018908321090.4410734465100467.78494180655980.798737973381256.69198283736
5-0.00143022908396110.0031798866943409-0.000849987393584020.0112234583937720.0123123182511920.000261366437386810.0158858776054210.0201532150579320.155801598166620.106630152814990.171268276019290.023877864745036-0.10487462434162-0.192695341455355.1042130786982E-60.52069801270687-0.050212684166669-0.111287045252320.50277866549412-0.01944130433070.7942350116525351.36468176561197.436638451417235.99770430479
6-0.004173880137335-0.0022743117655903-0.00677284167690470.003435805775780.0028494116880273-0.0026046820694918-0.132744976216310.00913022781766430.08668677505460.12110709606761-0.135186302555180.056540196772710.138265815256930.1780591801463-4.5352404031326E-70.377928177368-0.0730735050883770.0274663393251550.55376970847308-0.0173051882686780.7034624480566167.8810733048789.156844977764240.58937446611
70.0032241917995961-0.0031517193702098-0.00509377683452770.00106633978325890.0009381637114930.00060277809180381-0.086502167808198-0.057104910785973-0.049559279052367-0.0502436435211040.0043605032909897-0.024874552422260.106431304585340.225865762169985.2338188983419E-60.425004841768250.058370131428183-0.225722734014750.63523255255449-0.0374952946614540.7819333002439581.00936649148481.193375435449241.36212352506
80.024650182962070.079892828339051-0.0166489994297420.0981567785558250.0817452001929060.0651098628775330.0242521161284320.144451478416910.032526009892839-0.00846175062769890.027186249511928-0.070351186905529-0.278621950445680.196430924935485.7554942432026E-70.40782541129864-0.058131164820611-0.0091900905969010.471597036266560.0336230505559580.4966274479432766.04379780613189.958228748426232.82201552407
90.011728046754298-0.0040121809646894-0.0058011984947126-0.00073890690560338-0.0109924646873650.020931969907724-0.0658997370287580.152612451523990.027700957452731-0.19439185020385-0.16433585757489-0.107654698678430.26891216819806-0.0745254280857562.2542854139054E-60.47712531368808-0.16321596777004-0.0680817175232020.915243023785620.119945805855020.7921303808013574.36456569554490.264358745494227.06802631963
10-0.00203110088924240.010375738103-3.220501474176E-50.0111618989669540.0144691299988740.0002893506132546-0.0680709719476750.156122481161310.0809750329218160.11499522890446-0.10000668737815-0.0528378914871340.0811474003703920.00868656861377835.1809065212141E-60.4483023473749-0.029834775740815-0.0408291353291690.394637576072450.00714689802733390.4742735488860153.24215792622784.44427034259233.72837194763
110.00910422455041120.021984858218371-0.00032806842073079-0.03483298367952-0.0303681650427970.017726132673254-0.132187950421320.11712667082563-0.14861247624833-0.0478419599711680.051149080440441-0.0633536668693340.1553074087110.127450793880647.2969171869304E-70.34513812164306-0.036250918973178-0.000148665381177380.6709120800715-0.0190903510507510.5168079395782768.96351263425384.899133877223232.53717706293
12-0.00014372533522064-0.0041883759622905-0.000686839808429590.0097372931925016-0.0055518196384836-0.00235200337697710.0119557962059330.062292097053875-0.037295555594920.030524881249412-0.018284473950447-0.003447141815312-0.063961190835961-0.022757970758238-1.2529016006867E-50.62566544422181-0.25844886163114-0.162344493799331.16281467671890.00808757248410540.9599741111487585.26557009079491.570364636222238.01250815676
130.0170947564017440.0501768810027880.039318808847090.0199638627201090.005391639742735-0.0177284293392750.223527324272510.0497735251448220.195603241330640.070792078754583-0.040027595911038-0.3223208130075-0.41864547742702-0.062214598402511-2.79275082053E-60.34696482132183-0.091772225694854-0.0775128362190880.608673074147520.143803818589271.059939353763865.25297425294798.824826301708232.50524836117
140.00603371346941140.00630791787471870.00167954164000330.00436051656638090.0028013369501995-0.00813545314835460.0500989364779290.0153686225964410.165886199620740.197654651708350.189246777131610.203715082139660.111623496661290.074530205542661-2.2187226021705E-60.46023725290917-0.13074821553781-0.150888176165850.92311962736155-0.0938464615852950.8286714085172473.14636629472794.936026377358240.47773131196
150.559519202604810.029465979756566-0.090677930660560.29753486434925-0.0699114303662820.383122800331980.0623067657159550.142585835932380.00100693650287920.048848364000606-0.0540263185704680.094439866929538-0.0579571182261030.0187612113603551.0247790064116E-80.35388473041712-0.00980840119282590.0189810584385940.32514500148576-0.00608018310825620.3346812742423-6.413267266013863.256354056945161.11681979423
160.81664549977954-0.10918225837890.0132217134475920.39093251625232-0.344638040199660.28572852101541-0.0029206655848339-0.10089795425732-0.0320013794502050.093886657453352-0.090407207035125-0.0339229116633770.0389829357406350.043086744285598-1.1137545618365E-90.37356016076834-0.0360077155769180.00714644158748310.318132456870580.000584623549817270.319874290746851.534165736800456.725288667857171.498474958
170.19273500601485-0.314038673943540.0140832880665610.433817968869060.160149855954860.079079243292995-0.061703995702595-0.18834503492766-0.11111722419455-0.083126175370879-0.00300082238385520.034110878167638-0.10396593834977-0.0502424878868315.4334744391696E-90.3434651263707-0.00474616944876330.0560276256739350.31774650686362-0.00525365054673980.37952397173997-22.31738688275572.943616977262192.05974356658
180.434257503528960.134805160828640.315526227009660.13463983233767-0.0313390745316030.226486410343170.032206644884622-0.0124891578746570.00229659678976840.0284866706463810.00315824126287240.016321158773293-0.0057364533419140.133656459140125.0828782430422E-100.31044203925475-0.02873777635116-0.00488921602092510.36703345519910.0333560188248730.3067020364489128.0241424560362.886167758672160.84980446061
190.0360300053593530.0176294877640880.14730575906859-0.0772998364092990.213663457705650.180800645219770.043753420627513-0.198475197367260.29129798082828-0.0299300943542940.0386997605514960.03734388187006-0.0538538625759220.19377912856964-2.3904453353602E-70.33607664310185-0.0157523999955360.0181187448528860.489030589549790.0448795278412250.3260893596767432.90459827257564.40404941113154.55120879222
200.476767072553680.00693267218364170.332247418395080.150145430607950.298411043493830.29692791935457-0.00234561759890130.0710804318840150.109081633131210.204130533734970.3636234101135-0.28425808054148-0.0119897642693180.13518798825206-1.8153086906381E-80.481701986354630.0419566686153750.048693665352550.743342151289770.0285610315361630.6706550274128854.35826588883664.449446514503138.75099375163
210.45608350351292-0.45247348958008-0.225684918443640.1274014173054-0.234587543303030.473440281821520.0491778707575880.118243211937550.0157704943367960.0020403255461821-0.126133461639420.0757781718122150.0596778520126010.042277022706306-1.0630843612204E-80.32438181973818-0.0515161058293860.00885091075811320.338259579586850.0143363778840030.2812449916477912.82657858198363.32988802331140.14178893182
220.038322599046299-0.000504620214078710.0646128909735430.036290119856259-0.0141739477624210.0326204152434990.012375867883910.03382859366105-0.102269106855160.23668765497518-0.173696986546730.014287780855762-0.41314637050237-0.0612517236704414.2262836649497E-70.41689378938817-0.00503940253663520.0195145461580070.368736185911790.0147986871197940.3785854127488413.41955581441656.641292622929153.402189054
230.00773860838924970.0257315403304920.00132547212372730.0138721718653060.0640811858207140.019560513623230.356727323940030.274066254646020.136508784183020.16514126602020.239712180965750.181375998947510.00905380475819660.02136280483767-2.7609498082755E-70.44309099099782-0.0107825228144420.0721527341151810.545389369759070.0583600087648110.3434062201514227.42257233100368.024974961141125.6037725634
240.206058310223950.0861379594249050.0764638109105350.015517518105802-0.0490658822409470.141702200497060.361872658075160.17562599086775-0.11776704868664-0.1966080753573-0.0665220588389850.0813555360629890.323396320118240.143000343663795.9647281311712E-80.501540672022040.13252640062985-0.0115403090297640.46873175629084-0.0147078762765060.397338727714445.2624448750155.62748426499133.89155949455
250.0066010126628-0.0653590896942220.632534465682260.0395597361493720.329957665881240.26445179890890.13269828805380.907347918789360.127679890208910.283341143564190.555533671776710.435628600869890.163753373715560.18109074193718.9584322914705E-80.564930901221280.14006274428195-0.121776723266230.37127785094839-0.269626521908210.3507666966372440.48838912078957.748575804235128.87489529753
26-0.038929724399284-0.22587003370660.042224960984798-0.0932739210005430.201131598359280.048046231290230.567005232915181.03014270471580.84004986102162-0.382366370740591.68830519283730.925315413557080.436263971559070.0258866480960524.7502969149443E-70.845462444929040.19193573190397-0.153437138645250.28792065829187-0.82135440331437-0.01795372989266537.12368723950756.037367628351120.36568549436
270.00488858967723160.0064891267483551-0.00249228374670490.0022763038210286-0.0017125591691447-0.0044138254227065-0.035101323849680.03618163543784-0.0027795746969059-0.042676721750439-0.127344309929650.114369179704490.196870890681050.211422651006795.8559187164693E-60.411077389421410.00942465954299980.065505503947760.31286364900943-0.0496357334456770.61535817084079-20.92389675786949.417452756362171.65580534693
280.0416961576764410.06679107354035-0.026690443183320.011534877064371-0.0461316101990020.032790390888209-0.060889248322174-0.0692084178676890.120014097182010.13140808268195-0.0419072280567520.021000596900289-0.0060693646547435-0.20268100815761-1.0015520302167E-80.334690817013370.0181677961931740.00607916699671480.28875328437954-0.00512195108226060.45777903380634-31.41986940947973.134984868376178.41743347948
290.0376340808492150.093161391331734-0.0276746400690780.0553842632462830.0274296411390890.066524344751467-0.104541549239170.14326424538244-0.10682298243535-0.0982419389540860.0444394862794890.11341916392354-0.1611953681479-0.000173289026873675.989582152719E-70.338466926991670.0040078774742026-0.0274958118592850.25684270304778-0.00391959119850630.35253312276616-27.80789036003365.004812550074169.79505208687
300.0053092430321207-0.000994428095443860.025123044736754-0.0032766685563990.0078191894994068-0.002210803635564-0.0508846897335260.114693980203150.14100807564703-0.534462734560880.024408865638016-0.023447708015953-0.072207077504078-0.117297938815372.2039430793471E-60.579894321107760.029645287628903-0.0369417842191840.49414116623759-0.0347108875648650.61240292100382-34.69052113863170.123614604988164.0267061417
310.0011420851402576-0.00631941364682140.00607670603324730.0033295533837949-0.026030012167129-0.0128190952820350.0068227446313303-0.146405254963320.13563203345045-0.33031725089521-0.0368626453427370.0086351684176115-0.114841028286850.10676614680123-1.0486460267646E-60.42860556979823-0.00632217021876930.022227118162580.27572844126619-0.0234591910797310.39313038424129-15.02291290654960.908060704509170.40353850082
320.019158654610577-0.00389654076174660.025643929563321-0.00247274794004530.022646724491699-0.00176143965648430.0184196270138960.185709241390240.054126279885136-0.204449493392780.065287154041749-0.18152678227688-0.313640107378230.16620817163802-1.0415418914421E-50.456998000253580.0606516016811470.0322464232415580.405147221503580.0616106523389820.42173269142005-29.76623492973973.339124475365169.67828923477
330.0018289284786625-0.00101043999364230.0020752062586049-0.000478885900228640.00468768708317960.00327006691225870.063013084598857-0.023027917539001-0.075092539800509-0.059578875536511-0.092358656093415-0.00563075810756190.0881718432987950.0046143817819661-5.2784152118515E-60.65713786652820.194791743815150.0818722628734390.73100611981084-0.100714253549060.89408906456029-44.14626779616873.653477374423175.49539378082
340.00023467941436783-0.020515789925144-0.00745641394987220.00371754678459860.0043099612782768-0.037769131287179-0.112266369590880.29374603692023-0.11777851716874-0.30384738479369-0.00955169331766630.0354820154331620.035172952443227-0.24488780257294-9.5557587530146E-70.43089087672914-0.048758117434402-0.030282093790720.45918817358061-0.0437520576841240.50613611812666-32.74041682518157.226646673778168.41297322427
350.0095288729700627-0.016826777500315-0.00292512246774810.0076696791248322-0.00996169885484450.0110369219083640.211967573134880.044391368498548-0.361212613125230.58346921142621-0.132944169032650.008785218338679-0.336925878453170.12443597259048-6.8797981346499E-60.41797830662932-0.0158467091348860.0558299641640930.39418727494832-0.0678244647914610.5127349063984-37.03385970650566.318743091436178.59385401951
360.005630835959796-0.0316019166905750.0279866278518950.11456628548582-0.0810661759239740.0433077651400510.0294297154964250.06855093638767-0.245606052303020.33009687197658-0.028430094633814-0.0389852906041620.147610957313210.0057562300680502-3.0078374014887E-60.4059310023981-0.038406379945169-0.0126482198658870.460886383772690.0309788714986540.418115267567523.31942936141149.952282190674220.19165918895
370.00560439310575340.0044353102755798-0.0131658401991720.0231355047904390.0174299899172830.0159742925041150.130548479236520.031934321536285-0.034003451666777-0.0449520562972360.016894716860289-0.030331128373539-0.20423360893511-0.17636352903342-7.77788091098E-70.45004840426486-0.038397176024111-0.0119200453401190.355202268443160.00475484180177610.491765718672817.92004102681752.930820100675225.7126315605
38-0.00390207655691560.0497778407151520.0110967632362220.0477097173170180.0855099088254520.0159154738673250.077457096899650.15570965316513-0.22099739552497-0.0107204300704010.27278722043591-0.170541425516440.11374426647359-0.099732839283845.803100229763E-70.33826533122127-0.044990865079659-0.0270342359654990.43642837885615-0.00385473216588780.3028024634148224.92341816722761.337164509753219.54609327765
390.043873939214188-0.08186294276847-0.0581505678495520.0564490525673150.102410560710980.035897647449885-0.346101454672650.152207911395760.547801489938480.33941850143551-0.189310817803010.295597716325980.0538402389071790.20524202726195-1.0185458660524E-70.451018127166350.00209534194820710.0378692810097610.3776137571707-0.0249968029996720.4381464980913419.9349387266564.766109874574227.60087867784
400.0234861711319580.03303903406073-0.0208292414782010.0869237916563720.0193505905012840.019218097770372-0.097304579108175-0.00307636056133430.0715379327913650.228573980120.232504085274940.187291045432370.301418801909590.039696409272793-4.0916434889302E-70.45072752624658-0.0540929942207590.00911207954261080.377967763685930.0074512348058490.3603727297602621.58967124634857.236828932615230.73145058557
410.0033841638239596-0.011194175331512-0.00793037838616650.036270320877248-0.019056499940924-0.0082748512411462-0.0854448659651410.0396536559341240.30302423854635-0.0217030082493120.18312821881520.0299764349605960.08501472538576-0.0718952376836421.9755214710441E-70.39296285823454-0.05158337953303-0.0151379669412930.452489508505620.0609451085806390.3632727935162814.77668062540258.593257880312220.00454201718
42-0.0289596358389530.0067713883975190.070592428644810.18821993637786-0.0493583602680310.088040447837440.13267498335555-0.16435376981934-0.153575460050070.00052961566379267-0.05298413582811-0.0490164383875890.00031147842422564-0.00682197096542018.8210847853249E-80.37164474666636-0.086612020231478-0.0108934138337360.457582703512740.0365279232778650.3373105678926213.08906253722653.01135001754214.99209541252
430.236044248602330.40266570097528-0.0218490174730950.23273949158623-0.233673590182260.191162593015350.029791025257912-0.164061549767190.011989430237913-0.118476545768520.00789420473143590.090546193879075-0.065381601163930.42646063759486-1.0302597519627E-70.525599677773440.000309274740395270.0256082030204130.487002029857830.0719310244409590.429990650091650.3623591604064646.138439772322200.71058325332
440.100509730313670.09128033830605-0.0284144484659610.011020871141371-0.0168960705392650.015864910145895-0.18156505071375-0.12802561539874-0.111154295811920.0029224987629173-0.0651716170380560.165632169987570.222117012678380.0536376571732636.6330046443438E-80.592340749906310.00940748932972520.0935438134367640.344353823201916.5080433533027E-50.52637222045899-1.026967999488441.491794727567197.22818552717
450.00047228564150340.0113798887962830.0125389045438430.0175257878007170.0078884137584536-0.0113251784956780.17528972488456-0.38322482869994-0.16471286524568-0.43747421054814-0.16284775862582-0.0531187161235050.10099273827688-0.0013221569491795-1.8532372734718E-60.65659159591519-0.0515634093940780.090874955739470.475368045636220.0969791791810290.49249875108655-5.881463440897436.227558268554203.96690479237
460.576985933597990.112694475188090.14811625393947-0.0757826320682240.353667825410080.34692111127825-0.15834520065520.37872871800790.204906716257650.162304270065490.0496599969411350.0113433690186440.0733369897702520.077377922013909-1.2478885368766E-80.3415664370316-0.1069199358113-0.034550404295630.472311523564090.0793120997570740.3456920336594332.42712696110767.951759169512204.00457204444
470.11308042852960.14718620561797-0.0680890232436760.23010834171287-0.00438646549881640.011475161538385-0.0863499317021790.1173363695378-0.000995145197614710.100545502149830.09061908772663-0.035559384699581-0.0641247969724120.3392644199882-2.240878550968E-80.31277276934952-0.056954670986459-0.00815149104802720.498185262016040.043418610939580.280610951638730.94683286685466.713390325647207.20635023821
48-0.0125238037455150.012447037176790.0309541812388380.033782213693556-0.0370797792728540.023604897142006-0.16167205168501-0.060353767779742-0.134280874417290.140737489785170.164153072943490.21826504104510.091632394068040.33305828739763-1.0751880685397E-60.452246444828860.019901952165357-0.0114699183074420.525045887261790.00853159551099330.3117967175618824.50214541499253.75568170793188.66829098973
490.097209067198132-0.226590287097040.0318140807820580.073779647659492-0.237568169940650.0586713699644810.091612248115095-0.372012231983750.0121341391250770.020725368726145-0.0207590578234580.13948642606905-0.0752450999140990.22774955122172-3.923761143249E-70.37482862476209-0.039896344414080.0109532837142790.402061777172480.0238151410976110.335045697096970.4494153023152453.749774904705194.78812789617
500.137052213204610.26887360373678-0.04865087941490.16792119222342-0.0468980954730890.204921178890860.16256363288695-0.31088560939422-0.029221339972904-0.19488216720293-0.39065079490491-0.11234742841383-0.193235119241250.22918890023116-2.3459596787605E-80.520349664561320.00443667897686860.00523453934514190.58057735442630.0964650679545320.4388518137571310.22123004128552.30188667888196.90966741992
510.042279611092420.034200407907521-0.0649252998051620.017093142913865-0.0509275529589940.0749395201509180.030375750513068-0.237595156543830.053793544060101-0.119725589791030.0805354056793670.10554909139521-0.169574635912860.1707593334224-3.5761035746065E-80.43556641139436-0.0672600860035340.0059411798359490.357841477326570.0591365695361220.35211084572838-3.214820930397859.036698308992194.40597621023
520.06575816345335-0.0225566242439130.0249012771925810.224613721210730.0010353307764570.174235336845940.033564850839486-0.024424429597922-0.11252835488635-0.12913506498-0.009281644528824-0.068517331067561-0.10863501807039-0.069798377554477-1.5788983026871E-70.39323162787615-0.054353726224853-0.051988905719250.424464996600430.0437470137707350.3110814936687213.03363215688359.103757868197183.04470678527
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 227 )AA159 - 227160 - 222
44chain 'A' and (resid 228 through 270 )AA228 - 270223 - 265
55chain 'B' and (resid 0 through 5 )BF0 - 51 - 6
66chain 'B' and (resid 6 through 11 )BF6 - 117 - 12
77chain 'B' and (resid 12 through 19 )BF12 - 1913 - 20
88chain 'B' and (resid 20 through 41 )BF20 - 4121 - 42
99chain 'B' and (resid 42 through 51 )BF42 - 5143 - 52
1010chain 'B' and (resid 52 through 61 )BF52 - 6153 - 62
1111chain 'B' and (resid 62 through 71 )BF62 - 7163 - 72
1212chain 'B' and (resid 72 through 77 )BF72 - 7773 - 78
1313chain 'B' and (resid 78 through 90 )BF78 - 9079 - 91
1414chain 'B' and (resid 91 through 97 )BF91 - 9792 - 98
1515chain 'C' and (resid 0 through 84 )CG0 - 841 - 85
1616chain 'C' and (resid 85 through 171 )CG85 - 17186 - 172
1717chain 'C' and (resid 172 through 270 )CG172 - 270173 - 267
1818chain 'D' and (resid 1 through 91 )DJ1 - 911 - 91
1919chain 'D' and (resid 92 through 116 )DJ92 - 11692 - 116
2020chain 'D' and (resid 117 through 198 )DJ117 - 198117 - 192
2121chain 'E' and (resid 3 through 94 )EL3 - 941 - 92
2222chain 'E' and (resid 95 through 109 )EL95 - 10993 - 107
2323chain 'E' and (resid 110 through 124 )EL110 - 124108 - 122
2424chain 'E' and (resid 125 through 178 )EL125 - 178123 - 176
2525chain 'E' and (resid 179 through 225 )EL179 - 225177 - 223
2626chain 'E' and (resid 226 through 243 )EL226 - 243224 - 241
2727chain 'F' and (resid 0 through 5 )FN0 - 51 - 6
2828chain 'F' and (resid 6 through 19 )FN6 - 197 - 20
2929chain 'F' and (resid 20 through 41 )FN20 - 4121 - 42
3030chain 'F' and (resid 42 through 51 )FN42 - 5143 - 52
3131chain 'F' and (resid 52 through 63 )FN52 - 6353 - 64
3232chain 'F' and (resid 64 through 71 )FN64 - 7165 - 72
3333chain 'F' and (resid 72 through 77 )FN72 - 7773 - 78
3434chain 'F' and (resid 78 through 90 )FN78 - 9079 - 91
3535chain 'F' and (resid 91 through 99 )FN91 - 9992 - 100
3636chain 'G' and (resid 1 through 13 )GP1 - 131 - 13
3737chain 'G' and (resid 14 through 25 )GP14 - 2514 - 25
3838chain 'G' and (resid 26 through 42 )GP26 - 4226 - 42
3939chain 'G' and (resid 43 through 59 )GP43 - 5943 - 59
4040chain 'G' and (resid 60 through 75 )GP60 - 7560 - 75
4141chain 'G' and (resid 76 through 91 )GP76 - 9176 - 91
4242chain 'G' and (resid 92 through 120 )GP92 - 12092 - 120
4343chain 'G' and (resid 121 through 165 )GP121 - 165121 - 165
4444chain 'G' and (resid 166 through 185 )GP166 - 185166 - 185
4545chain 'G' and (resid 186 through 200 )GP186 - 200186 - 200
4646chain 'H' and (resid 1 through 73 )HQ1 - 731 - 73
4747chain 'H' and (resid 74 through 109 )HQ74 - 10974 - 109
4848chain 'H' and (resid 110 through 124 )HQ110 - 124110 - 124
4949chain 'H' and (resid 125 through 162 )HQ125 - 162125 - 162
5050chain 'H' and (resid 163 through 188 )HQ163 - 188163 - 188
5151chain 'H' and (resid 189 through 215 )HQ189 - 215189 - 215
5252chain 'H' and (resid 216 through 245 )HQ216 - 245216 - 245

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