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- PDB-9cgr: Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal -

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Basic information

Entry
Database: PDB / ID: 9cgr
TitleStructure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal
Components
  • Beta-2-microglobulin
  • Major histocompatibility complex class I-related gene protein
  • TCR TRAV1-2
  • TCR TRBV 6-1
KeywordsIMMUNE SYSTEM / immune receptors
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 receptor binding / early endosome lumen ...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 receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / response to molecule of bacterial origin / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / MHC class I protein complex / positive regulation of immune response / peptide antigen binding / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / positive regulation of receptor-mediated endocytosis / multicellular organismal-level iron ion homeostasis / positive regulation of T cell activation / cellular response to nicotine / specific granule lumen / recycling endosome membrane / phagocytic vesicle membrane / positive regulation of cellular senescence / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / Interferon gamma signaling / MHC class II protein complex binding / positive regulation of protein binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / tertiary granule lumen / DAP12 signaling / negative regulation of neuron projection development / iron ion transport / T cell differentiation in thymus / ER-Phagosome pathway / protein refolding / early endosome membrane / defense response to Gram-negative bacterium / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / external side of plasma membrane / lysosomal membrane / innate immune response / 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 space / extracellular exosome / extracellular region / identical protein binding / membrane / 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-PXL / Beta-2-microglobulin / Major histocompatibility complex class I-related gene protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsAwad, W. / Rossjohn, R.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC) Australia
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2024
Title: MR1 presents vitamin B6-related compounds for recognition by MR1-reactive T cells.
Authors: McInerney, M.P. / Awad, W. / Souter, M.N.T. / Kang, Y. / Wang, C.J.H. / Chan Yew Poa, K. / Abdelaal, M.R. / Le, N.H. / Shepherd, C.M. / McNeice, C. / Meehan, L.J. / Nelson, A.G. / Raynes, J. ...Authors: McInerney, M.P. / Awad, W. / Souter, M.N.T. / Kang, Y. / Wang, C.J.H. / Chan Yew Poa, K. / Abdelaal, M.R. / Le, N.H. / Shepherd, C.M. / McNeice, C. / Meehan, L.J. / Nelson, A.G. / Raynes, J.M. / Mak, J.Y.W. / McCluskey, J. / Chen, Z. / Ang, C.S. / Fairlie, D.P. / Le Nours, J. / Illing, P.T. / Rossjohn, J. / Purcell, A.W.
History
DepositionJun 30, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 27, 2024Provider: repository / Type: Initial release
Revision 2.0Dec 11, 2024Group: Atomic model / Data collection / Database references
Category: atom_site / citation ...atom_site / citation / citation_author / pdbx_nonpoly_scheme
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _pdbx_nonpoly_scheme.auth_seq_num

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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: TCR TRAV1-2
E: TCR TRBV 6-1
F: Beta-2-microglobulin
G: TCR TRAV1-2
H: TCR TRBV 6-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)189,76728
Polymers188,1008
Non-polymers1,66720
Water5,945330
1
A: Major histocompatibility complex class I-related gene protein
B: Beta-2-microglobulin
G: TCR TRAV1-2
H: TCR TRBV 6-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,68912
Polymers94,0504
Non-polymers6398
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Major histocompatibility complex class I-related gene protein
D: TCR TRAV1-2
E: TCR TRBV 6-1
F: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,07716
Polymers94,0504
Non-polymers1,02712
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)216.075, 69.897, 142.444
Angle α, β, γ (deg.)90.000, 103.833, 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 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 / 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 TRAV1-2


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 TRBV 6-1


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, 350 molecules

#5: Chemical ChemComp-PXL / 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE / PYRIDOXAL


Mass: 167.162 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H9NO3 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical
ChemComp-ACY / ACETIC ACID


Mass: 60.052 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2H4O2
#8: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#9: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 330 / 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: 2.82 Å3/Da / Density % sol: 56.43 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / Details: PEG 3350, BTP, Ca acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 9, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.4→46.15 Å / Num. obs: 79691 / % possible obs: 98.08 % / Redundancy: 3.5 % / Biso Wilson estimate: 58.65 Å2 / CC1/2: 0.998 / Net I/σ(I): 12.63
Reflection shellResolution: 2.4→2.49 Å / Num. unique obs: 7875 / CC1/2: 0.635

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Processing

Software
NameVersionClassification
PHENIX1.21.1_5286refinement
XDSdata reduction
Aimlessdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.4→46.15 Å / SU ML: 0.3499 / Cross valid method: FREE R-VALUE / σ(F): 1.45 / Phase error: 26.3933
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2159 2000 2.51 %
Rwork0.1732 77604 -
obs0.1745 79604 98.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 66.19 Å2
Refinement stepCycle: LAST / Resolution: 2.4→46.15 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12751 0 105 330 13186
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00213313
X-RAY DIFFRACTIONf_angle_d0.505218120
X-RAY DIFFRACTIONf_chiral_restr0.04181930
X-RAY DIFFRACTIONf_plane_restr0.00362355
X-RAY DIFFRACTIONf_dihedral_angle_d14.00424772
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.460.39211420.31845472X-RAY DIFFRACTION97.52
2.46-2.530.32511410.28685502X-RAY DIFFRACTION97.95
2.53-2.60.31441420.27265509X-RAY DIFFRACTION98.04
2.6-2.680.37051420.2715513X-RAY DIFFRACTION98.26
2.68-2.780.31631420.26745510X-RAY DIFFRACTION98.35
2.78-2.890.24771420.23845525X-RAY DIFFRACTION98.33
2.89-3.020.26191430.21665532X-RAY DIFFRACTION98.27
3.02-3.180.22511430.20235530X-RAY DIFFRACTION98.3
3.18-3.380.291420.20155522X-RAY DIFFRACTION97.96
3.38-3.640.19191420.16325523X-RAY DIFFRACTION98.06
3.64-4.010.20421430.15465571X-RAY DIFFRACTION98.35
4.01-4.590.15851450.12655605X-RAY DIFFRACTION98.34
4.59-5.780.16921440.13235576X-RAY DIFFRACTION97.89
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)
12.04626720278-0.842910966939-0.2665385934641.678247644681.034741865871.620774312520.05001965158120.1487546028250.256588681112-0.3229800775350.0670113033267-0.278957007294-0.02611218568530.131453151258-0.1240902573150.478256240247-0.06854570921950.0293606137580.5091098938810.01664348582140.51082063745752.777477967476.898213479223.264401148
21.75047896158-0.5464376710430.327242794132.112336287010.2435871716521.11209152778-0.00735698047549-0.1225092766950.0482281837847-0.0165016369842-0.0334006722420.130875405274-0.00915398379154-0.05090211941970.03868260267290.430867540806-0.03066473490940.02496515950060.4887797434880.003791453497230.46387249615840.194451852380.6260489903233.995542511
32.62735445322-0.3452004579641.134697865281.515341224970.975809196291.971960041470.05106408447050.0153435348918-0.04091853525760.1030681345530.218957189421-0.3142958027860.1346029438120.231364877373-0.2380370101540.4646208216320.002523887503870.01346931229540.4951186310150.01400250162130.52273885190865.537016709270.6488269097243.069951095
41.366603241970.0524843299690.4749384083571.59838560337-0.7222634106471.81940057509-0.0703422676466-0.2749271292450.3704881842580.2927460489750.095729892789-0.0469190810513-0.481151997474-0.115851679477-0.01047471326580.5374582383080.113095493769-0.04122154072790.673424452417-0.1567713632840.68137884006769.527905535379.9512756355256.410144932
51.878212059262.9661036579-2.091353848086.18576294947-0.5119931946277.482651225850.05587457735120.8957221264671.152487481730.2304167485880.585397739760.289450720627-0.576455549028-0.846091481765-0.7461679482830.651544557214-0.0298933449340.01177466615740.6674683298870.04972115387860.85529889213755.693074960896.6891811119234.94689765
64.0044838097-0.02290154868360.9216727152961.80491561652-0.6867321989251.79058895324-0.06825006613050.08721382514220.5541580380760.0964478703507-0.0443789222964-0.636673586033-0.07178832780690.4201434039430.2240561476120.48053228563-0.0362849220981-0.01012437112770.692185038991-0.008818813502520.79378923146776.450219852284.2413308546238.275658087
77.48477091116-0.157758171763-0.05401535951420.6823501103360.2272193871361.310716439460.01080727911521.411416970320.469603765222-0.397029021117-0.0287793702101-0.524358561853-0.2614636341630.523914524371-0.07961104216550.537093573501-0.1925850345010.06435908457380.8941207311820.09891987021880.97647206144773.549692517191.2828647097227.673362796
89.61809773692-2.09002244002-2.459416360793.343673985720.9990886824123.028386357140.008983588611890.379769643961-0.1769863550020.426153901487-0.121083709302-0.06754799785940.4237068534960.09463733215580.1260829458610.457273745844-0.008879625878360.03827187485590.508086297342-0.005061048144850.53252168672557.25761429783.5423194023233.044344761
97.97701550123-0.3202092575681.004942787730.597771678356-0.3468840219180.687586198574-0.5838906556140.891050103094-0.526053501007-0.6321024512270.456152067208-0.498342641592-0.09084664908930.4372790375450.1012542743990.462487415241-0.1059093344050.1472092883810.717353309351-0.05182271022740.74629675021773.164540267783.9140621062231.796474861
102.31901802413-0.3689137307771.175327745120.0809956888979-0.1894197161360.589992207267-0.444909741912-0.365338183316-0.4890876342530.0613783412180.0313185957682-0.181135627257-0.4566676721340.1582133801220.6297987568960.805597882866-0.07401051520680.0117512691881.12130783884-0.05464956870341.3591757704889.026578510590.9004219134237.619673975
110.9275130306210.049631467779-0.4992861104723.584553652371.282174243810.7491910835330.09715049403090.2539973713090.909009771925-0.0173964353212-0.0535839572531-0.351559046289-0.3449875279980.566196168792-0.05741826073320.672486877831-0.1338062410270.033866071230.6724795930470.02481814433530.9663772206873.057306826496.2605504771235.024427826
122.196123260930.369985264402-0.1411811950511.19993595887-0.6286770405352.42472413960.07921178908260.254654238027-0.0427079180258-0.089483323513-0.04225244070220.126830688114-0.107489528255-0.0755455709188-0.02506483888340.417180486190.0153621659348-0.01145832268970.446827671386-0.01782173806670.446006684306-3.1897362380863.0023491089159.91999258
132.41810344188-0.8066047470280.07795137048051.65597243799-0.9932620131681.37659802480.0291734192761-0.014786347142-0.1777717594660.263966811685-0.1006069295-0.2084596338570.03221670297490.1633863423820.07203408127810.452320018166-0.0261511271247-4.91155059564E-60.512438506681-0.01167597445190.427530758394.8658392377255.8592848934170.092143351
141.57012794351-0.263693638635-0.2457984352191.079233679910.6923495518491.522617934040.0486747124714-0.142863230093-0.00530172573689-0.0259903512775-0.08156387004450.126810697893-0.0863989670088-0.06790506313660.01835072167160.5353832211960.00842716593780.005138886233690.432577892546-0.02501871562460.523553025865-18.741107648472.0416525123188.779180366
151.61371451393-0.410053973870.09731799713931.840955740150.5933004491812.923992855230.146044990933-0.1134999524-0.2554619683030.184539356874-0.0273585249359-0.02573706158910.161107420953-0.193061134784-0.00107849177560.5578688713160.0115768533759-0.01121666705060.440742529798-0.01149734478750.529725367076-18.622967536472.7445311573194.72853733
161.081165675550.53192731311-0.08210279081440.786830132054-0.6632372899721.33828246648-0.03165079574950.1270002354460.0610217298779-0.0486379761618-0.0231831767632-0.00207791991182-0.1069603359260.1714394854010.04525204475990.427472827604-0.0572360849834-0.008907438211160.5677833135190.06015003266190.46069541710530.094519381863.3725011846157.62532434
173.111409664260.115202739298-0.8300921081050.7646638630860.3934154689372.01280877876-0.01645974792840.108549800320.06917178196830.02862492069330.02388530823860.04358875031140.05624495381690.170421145878-0.009510112884570.478424805221-0.0610436007824-0.02415286692490.5904507662290.08635214850860.50534926202929.855764901660.9967852477160.109973694
185.57657136782-0.215145077247-2.23255106373-0.008514882563320.07228265613790.862011112455-0.114838883385-0.300104529076-0.17087957344-0.09498989878170.206132734385-0.164428353240.1630641110470.596080042023-0.06718937309840.434475698186-0.0005186810484630.007389911090210.8656051474980.0260098505310.53764967564552.477608282558.9703172489150.791718056
193.18033788076-1.01456859631.388998787541.211714982280.1878311820533.785922161030.1473753022240.05675106669160.150386332596-0.2328669138660.0805442932598-0.497920308561-0.170694078920.357420979504-0.1448394530170.651672277501-0.02767049055030.09159123608170.774451953607-0.009478271249240.71833340254457.880999924862.6643620176136.628379485
202.35371028281-0.695634134908-1.272130080321.75374173303-0.4112621660832.63151189120.06284038406520.132392513017-0.00848445473453-0.2926613933230.06829662428880.3304521401540.203655753071-0.522360612175-0.1191198565180.596061733348-0.103560127501-0.08789791523980.7504432261130.08721058297270.57036338703716.140470772261.7975167505138.657145766
211.119607506031.051129095130.4327927969091.9848255591-1.167342553372.668067849870.376781861502-0.396605239824-0.6365156917120.338634839031-0.3376087211780.133195826261-0.517787628121-0.968290884689-0.02613986037770.597161561681-0.1041246485140.007188994444890.8368328256180.04061028137510.60701923734816.682242889555.4263838851152.028941517
221.295221748160.418529525408-0.5942654978760.852373351659-0.02706240462040.9968249861650.5101915803410.277960873363-0.181316979397-0.295791886417-0.0412105369683-0.1688680424250.3190963026190.198415452967-0.4111611920840.7652270870470.0879011519120.06215237512490.711296649577-0.08121426173490.52162658097145.043233463459.6968870612127.928437758
234.221020132660.2319580934721.483784394561.82410726422-0.08957616810292.050372261280.5773102472360.4445446084-0.956355880376-0.42052680366-0.05519427194990.2512826742540.4923601547640.267011372042-0.427832940120.7352173055940.082586783005-0.05860205551870.557665106124-0.1129828247310.5716489104543.890555070255.0517097392127.60244913
241.86159513360.1728474803250.411718297662.25073472636-0.46000363741.763606855230.009024909543030.144533937103-0.0538120102753-0.266533053172-0.0355578093036-0.162184959585-0.1430180517670.01741245474780.09639143179460.433990337284-0.0353457571418-0.0004114852190420.459476272519-0.06941870118280.588033774088-21.528824595957.4816871755173.269044859
252.44323483063-0.510439943231.248529122630.142670671135-0.2446081600270.631893853974-0.1926454091750.1257267635350.690192460441-0.0754177399268-0.4167527448310.375906738499-0.455259453369-0.6023174233430.0828505181890.7351954332270.1912491761050.021664812750.672328972527-0.1794817038080.915041159468-30.888722861180.3399225678178.28015934
262.54456937794-1.73381158931-0.9047026859932.028434608780.7271204993321.32043841841-0.2184221317430.2041497376170.0651463254380.0863493984638-0.1071017752560.220781694135-0.508785123513-0.1084296854170.2634742760430.5697464282350.0492504211706-0.09795130165180.547766705233-0.07218164540740.562441218872-23.844535902368.8579197947172.061486626
277.57117790507-6.40922104897-1.19102092666.215826191591.186530542250.8838454805870.5404652600310.566644469124-0.223711019766-0.535948248513-0.4899839805130.0540219582356-0.0700774168072-0.481940888608-0.07687800164040.5339922476030.0347047525114-0.02481364037510.748079421212-0.04987008163680.585256781633-25.202020073460.8405379845164.379388795
284.42275278876-0.573303108149-0.009552607282120.7987981428420.2728076205981.15798878497-0.4202015565950.4614636172250.744582417485-0.2091217069850.06561361810110.264213635228-0.0050997724266-0.237310948470.1221973714710.7773121833670.111982282262-0.08983957780590.843234293283-0.09482243096890.716816192621-30.733722439770.7002393934162.222020903
291.42233043286-0.9832721875471.673234113221.43044836947-1.550361254372.176038180510.161121570455-0.2181593630660.104124642923-0.3364444581010.1337405801680.004443181328510.133771614732-0.01211377118690.09075305236570.596301883022-0.01021246303630.02722647980020.551806836788-0.05424338915620.58577280734-11.104755311860.4961135919168.843446353
304.02108590307-2.6220050682-0.6957362965462.549074077070.652415052151.110041419770.1842275669140.2938497062910.467739401343-0.541032735610.00394483534848-0.169220336789-0.549190127087-0.166888042006-0.09234637908990.6568933374340.0138562600316-0.0256418342680.5877005626360.0001432382058970.551294450878-23.431690741170.5188575143168.516020952
313.2597123963-1.91914626549-0.5983814310951.948298995391.866615446893.00287178014-0.05094532828660.0479578846436-0.111227731588-0.342871900524-0.1916994516560.2693073434820.228212986331-0.6964313175370.347417575830.9040895640730.2030649539250.01491764921690.852454739215-0.03674995502490.993588741839-40.490132576374.0939655025173.940711223
322.53842760153-2.11410756895-0.8057970780916.2902199721-0.1043902594841.228719049420.2206385745990.100133902657-0.1171312986260.00855772850163-0.3081094256170.4417930028480.0543894436303-0.4624670067830.1463174934370.487471745913-0.0378253845293-0.08181734034330.564070314188-0.07228815021980.561964764533-31.380435812161.3461345753171.515834029
332.325525326021.899842060851.284978549582.076492782260.6755342795541.743860500770.002520443431760.0962673534370.03148881286010.03746848915110.07579431488230.1034365539230.08195591182230.04684907921-0.07478676507420.503334782418-0.04681936673550.004105080176170.433670665220.02304540015590.47028946452125.538185038258.1566905308222.098860303
343.648718260291.540481738171.938927943971.720076741560.4386106929481.134085225850.0950800753393-0.714566343256-0.0653218745379-0.0429935566608-0.1172068155930.2240606629260.109086900042-0.259192034653-0.006624167570890.530016787552-0.0564504350183-0.02709464711240.5571312770740.04096573993990.5622436307351.7956701584947.1613860875210.115729678
352.870947457850.452850927313-1.052431784972.76997836257-0.4550222977233.75705428924-0.0273230566553-0.103557877755-0.243452724662-0.2662070405810.06937844624040.1237598611350.400107239170.186234988569-0.06707112893330.6099523967590.00534538270909-0.03547282621010.405940101320.02498241874050.57097517043.5928433904544.0344139093198.57862121
365.58171189887-0.8248683704311.754195658483.77666993685-1.14464830784.70711809754-0.158678254341-0.143088638128-0.43327867425-0.146581757860.07643381460840.4932499924470.113543219089-0.4867405638230.06098621204990.762648221706-0.0934421598178-0.1357554948770.604557458750.07915909318160.758691188369-5.4642628402236.3925894634202.44818754
372.244607795980.253630622090.2304263327681.111876174111.556145786732.263337492450.01940402760270.37752067520.166910136114-0.351231290488-0.0236116382172-0.161756003914-0.2576068755210.3570938252490.008979104004660.627702882603-0.0704536291781-0.006545127997190.6370389870240.05091514671370.46327338757836.222514584766.7224227809202.047334596
381.208231426510.4136862628630.7320761966840.6875951551250.2576151521721.627414010580.05986621024160.205429815418-0.1298449378140.02519841259210.0740559793957-0.02188993648340.0490059821980.424586803047-0.1800995942750.5780250334990.0277078781192-0.04581041293550.4020289663590.02234437953370.41989828303318.173583018957.7985112483198.05527477
393.838469526880.601952693612-2.186595358870.938564927669-0.7135147462562.708728138150.14382364052-0.1421525492930.1913172751460.0166043308385-0.1043221284450.0332871146534-0.09097393903920.296668758579-0.02128418015410.511874988244-0.032819550212-0.05486118681930.4059232657160.005273527924650.38729979786710.397843905856.4333061338190.63590877
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 83 )AA0 - 831 - 84
22chain 'A' and (resid 84 through 158 )AA84 - 15885 - 159
33chain 'A' and (resid 159 through 205 )AA159 - 205160 - 201
44chain 'A' and (resid 206 through 270 )AA206 - 270202 - 266
55chain 'B' and (resid 0 through 5 )BG0 - 51 - 6
66chain 'B' and (resid 6 through 30 )BG6 - 307 - 31
77chain 'B' and (resid 31 through 51 )BG31 - 5132 - 52
88chain 'B' and (resid 52 through 61 )BG52 - 6153 - 62
99chain 'B' and (resid 62 through 71 )BG62 - 7163 - 72
1010chain 'B' and (resid 72 through 77 )BG72 - 7773 - 78
1111chain 'B' and (resid 78 through 97 )BG78 - 9779 - 98
1212chain 'C' and (resid 0 through 84 )CH0 - 841 - 85
1313chain 'C' and (resid 85 through 171 )CH85 - 17186 - 172
1414chain 'C' and (resid 172 through 237 )CH172 - 237173 - 238
1515chain 'C' and (resid 238 through 270 )CH238 - 270239 - 266
1616chain 'D' and (resid 1 through 52 )DP1 - 521 - 52
1717chain 'D' and (resid 53 through 102 )DP53 - 10253 - 102
1818chain 'D' and (resid 103 through 116 )DP103 - 116103 - 116
1919chain 'D' and (resid 117 through 199 )DP117 - 199117 - 197
2020chain 'E' and (resid 3 through 94 )EQ3 - 941 - 92
2121chain 'E' and (resid 95 through 109 )EQ95 - 10993 - 107
2222chain 'E' and (resid 110 through 140 )EQ110 - 140108 - 138
2323chain 'E' and (resid 141 through 244 )EQ141 - 244139 - 242
2424chain 'F' and (resid 0 through 11 )FR0 - 111 - 12
2525chain 'F' and (resid 12 through 19 )FR12 - 1913 - 20
2626chain 'F' and (resid 20 through 30 )FR20 - 3021 - 31
2727chain 'F' and (resid 31 through 41 )FR31 - 4132 - 42
2828chain 'F' and (resid 42 through 51 )FR42 - 5143 - 52
2929chain 'F' and (resid 52 through 61 )FR52 - 6153 - 62
3030chain 'F' and (resid 62 through 71 )FR62 - 7163 - 72
3131chain 'F' and (resid 72 through 77 )FR72 - 7773 - 78
3232chain 'F' and (resid 78 through 99 )FR78 - 9979 - 100
3333chain 'G' and (resid 2 through 103 )GV2 - 1031 - 102
3434chain 'G' and (resid 104 through 120 )GV104 - 120103 - 119
3535chain 'G' and (resid 121 through 189 )GV121 - 189120 - 188
3636chain 'G' and (resid 190 through 201 )GV190 - 201189 - 200
3737chain 'H' and (resid 1 through 94 )HW1 - 941 - 94
3838chain 'H' and (resid 95 through 140 )HW95 - 14095 - 140
3939chain 'H' and (resid 141 through 244 )HW141 - 244141 - 244

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