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- PDB-26sk: Crystal structure of MAIT A-F7 TCR-MR1-uric acid -

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Open data

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Basic information

Entry

Database: PDB / ID: 26sk

Title

Crystal structure of MAIT A-F7 TCR-MR1-uric acid

Components

(Human A-F7 TCR ...) x 2
Beta-2-microglobulin
Major histocompatibility complex class I-related gene protein

Keywords

IMMUNE 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

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.85 Å

Authors

Awad, W. / Rossjohn, J.

Funding support

Australia, 1items

Citation

Journal: 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

Deposition	May 13, 2026	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Aug 26, 2026	Provider: repository / Type: Initial release

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	26sk.cif.gz	798.9 KB	Display	PDBx/mmCIF format
PDB format	pdb26sk.ent.gz	549.1 KB	Display	PDB format
PDBx/mmJSON format	26sk.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/6s/26sk ftp://data.pdbj.org/pub/pdb/validation_reports/6s/26sk	HTTPS FTP

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Related structure data

Related structure data	26sjC 26slC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#62 - Feb 2005 Major Histocompatibility Complex similarity (1) #63 - Mar 2005 T-Cell Receptor similarity (1)

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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

189 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	217.637, 70.161, 143.972
Angle α, β, γ (deg.)	90.000, 104.674, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
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

#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: 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	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 , 6 types, 221 molecules

#5: Chemical	ChemComp-URC / URIC ACID / 7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE Mass: 168.110 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₅H₄N₄O₃ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₃H₈O₃
#7: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₃O₂
#8: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / 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.: 209 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	Y

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.83 Å³/Da / Density % sol: 56.48 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / Details: PEG3350, BTP, Ca chloride

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 2, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9537 Å / Relative weight: 1
Reflection	Resolution: 2.85→48.28 Å / Num. obs: 94365 / % possible obs: 98.52 % / Redundancy: 2.3 % / B_iso Wilson estimate: 56.24 Å² / CC_1/2: 0.978 / Net I/σ(I): 4.9
Reflection shell	Resolution: 2.85→2.89 Å / Num. unique obs: 2895 / CC_1/2: 0.422

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Processing

Software

Name	Version	Classification
PHENIX	2.0_5936	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.85→48.28 Å / SU ML: 0.3812 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.6651
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2161	3823	4.05 %
R_work	0.1789	90491	-
obs	0.1804	94314	98.51 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 55.24 Å²

Refinement step

Cycle: LAST / Resolution: 2.85→48.28 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12560	0	72	209	12841

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	13296
X-RAY DIFFRACTION	f_angle_d	0.9419	18182
X-RAY DIFFRACTION	f_chiral_restr	0.0505	1950
X-RAY DIFFRACTION	f_plane_restr	0.0069	2376
X-RAY DIFFRACTION	f_dihedral_angle_d	13.8401	4775

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.85-2.89	0.3505	119	0.291	2775	X-RAY DIFFRACTION	83.42
2.89-2.93	0.3106	146	0.2802	3475	X-RAY DIFFRACTION	99.72
2.93-2.97	0.2909	144	0.2633	3333	X-RAY DIFFRACTION	99.77
2.97-3.01	0.3354	140	0.263	3421	X-RAY DIFFRACTION	99.41
3.01-3.06	0.3282	141	0.2607	3337	X-RAY DIFFRACTION	99.68
3.06-3.1	0.34	142	0.2564	3395	X-RAY DIFFRACTION	99.13
3.1-3.15	0.2873	144	0.2408	3446	X-RAY DIFFRACTION	99.39
3.15-3.21	0.2923	141	0.2294	3322	X-RAY DIFFRACTION	98.8
3.21-3.27	0.2703	140	0.2151	3344	X-RAY DIFFRACTION	98.7
3.27-3.33	0.2814	144	0.2034	3371	X-RAY DIFFRACTION	98.79
3.33-3.4	0.2331	145	0.1976	3326	X-RAY DIFFRACTION	98.83
3.4-3.47	0.2525	142	0.2012	3369	X-RAY DIFFRACTION	98.02
3.47-3.55	0.2198	147	0.201	3363	X-RAY DIFFRACTION	98.9
3.55-3.64	0.2266	142	0.1899	3333	X-RAY DIFFRACTION	98.16
3.64-3.74	0.2293	141	0.1866	3330	X-RAY DIFFRACTION	97.83
3.74-3.85	0.2584	139	0.1721	3379	X-RAY DIFFRACTION	99.1
3.85-3.97	0.1954	142	0.1724	3292	X-RAY DIFFRACTION	97.17
3.97-4.12	0.189	146	0.1488	3452	X-RAY DIFFRACTION	99.58
4.12-4.28	0.2093	140	0.1331	3330	X-RAY DIFFRACTION	99.74
4.28-4.48	0.1447	146	0.1239	3405	X-RAY DIFFRACTION	99.69
4.48-4.71	0.1337	145	0.1165	3423	X-RAY DIFFRACTION	99.8
4.71-5.01	0.1611	143	0.1217	3405	X-RAY DIFFRACTION	99.8
5.01-5.39	0.1985	140	0.1403	3391	X-RAY DIFFRACTION	99.58
5.39-5.93	0.1926	142	0.1751	3357	X-RAY DIFFRACTION	99.21
5.93-6.79	0.2439	137	0.1876	3333	X-RAY DIFFRACTION	98.89
6.79-8.55	0.1581	144	0.1797	3405	X-RAY DIFFRACTION	99.19
8.55-48.28	0.1952	141	0.1805	3379	X-RAY DIFFRACTION	99.27

Refinement TLS params.

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

ID	L11 (°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)
1	2.5297725502143	-0.39613964034069	-0.39429161711673	1.8241979888552	0.75355670404163	2.5029170990459	0.16534437891865	0.15412742094117	0.17598064233129	-0.11001786705805	-0.012596024425841	-0.011077021700389	-0.05794194189338	0.35490762456563	-0.14776595924281	0.27836393129967	-0.044852811631101	-0.012057448048991	0.29053992238733	-0.0023817634397418	0.41837880822564	48.996560992423	77.867139111299	224.8854264816
2	1.9500902722341	-0.65682568687884	0.0679613149036	1.328920047271	0.10972941857149	1.2332385895597	-0.070395472191399	-0.088499738120125	-0.05277444701745	0.13545694923633	0.1664798962412	0.14914547456831	0.013958223500993	0.0095179381035899	-0.079336448748823	0.28334340221147	-0.011480437065691	-0.025431673068332	0.24349565814376	-0.0017892113666548	0.29165082826608	41.031081471043	76.658178888037	236.19613627847
3	0.75543175165512	0.55208558368259	-0.24365944984578	1.152273801988	-0.28613176674959	1.7349271693753	0.0095444698437038	-0.32873302663455	0.23251354428211	0.21301159334673	-0.06496001237085	-0.1825654290275	-0.36773757363436	-0.013869886629412	0.26710046921653	0.45380529440615	0.11298925624682	-0.092165979243238	0.7305774082576	-0.13949343976933	0.64051545384421	67.995806432763	80.313918037238	256.89381423108
4	1.3385432286117	1.5792294740056	-0.71200578848644	2.4153479327091	0.4286794486411	3.1969216140605	-0.39713328207381	0.5187175776802	0.72094227764992	0.38060161171019	0.42036867552624	1.4706255711796	-0.30729607560744	-0.40474164497705	0.0066285895066819	0.59505050283448	0.072832846620126	-0.060106726248816	0.7444768682246	0.090680314219158	0.93501971926161	51.984759466889	97.187056004502	236.92274770021
5	2.3140301248	-0.92522822368494	-0.24569208987149	0.92728603809799	0.10041814176228	0.524269315038	-0.45618726927287	-0.05055322553146	-0.11007456965481	0.3805931954234	0.3589839449717	-0.46908520949475	-0.12120517764682	0.6301285769168	0.1388160882913	0.48254328686377	0.065126639816591	-0.18961721746926	0.87825994195984	-0.13056827204449	0.90781158236147	75.127848535832	84.239009932602	241.63017801033
6	2.5541548368206	0.094463724726992	0.45109525430935	0.13984341954222	0.24714970859344	1.2513903161297	-0.035814509792682	0.05816463936548	0.77474104879527	-0.1450849977636	0.015119993965033	-0.74324261096258	-0.16130701345301	0.37855059885266	0.19614645539304	0.46556992357848	-0.1155578897258	-0.01597618271112	0.62874263217276	0.0073157267416392	0.74958202024038	66.562323877938	89.246969538472	233.84660219063
7	0.91911688651393	-0.7630254624828	0.20428284333926	0.78512395593099	-0.40966283563286	0.41610305413832	0.41874416191481	0.53892680648293	0.22242121434312	-0.44273164927273	-0.36789587367764	-0.3577188636302	-0.46461439035683	0.38517853463222	0.040607293011955	0.6054312703765	-0.1153397167963	0.094729233212651	1.1260064143516	0.081829847361888	0.91134131436995	75.120891105754	89.654356126813	227.9289771648
8	3.160461909494	1.1677889377722	0.89540862781353	1.4828031203833	-1.0988156242313	2.1104009900504	0.16447208511886	0.32877840005535	-0.38528302574471	0.15797930218047	0.0031864666700827	0.18593009495914	-0.12307015221732	0.40100807096742	-0.13550218958295	0.34089376158615	-0.063258671453084	-0.020143548271717	0.37674435355085	-0.0023686494769462	0.5939852195056	53.723521308274	84.227818692727	234.39907854977
9	4.8414941123604	-0.027941219535968	-0.32970084276931	0.93734499095676	-0.24314280332554	1.3337693369576	-0.26565379261419	0.1280837598387	-0.41748245207714	-0.84916092786302	0.42301066567769	-0.2047349901347	-0.01080211929051	0.94335794562826	-0.10466723434348	0.43122682221756	-0.09782253927834	0.043558785162435	0.68921531445542	-0.077369074280752	0.69824274605339	69.527433893122	84.397986552406	233.23348087593
10	0.17265793471836	-0.19660465485726	-0.0047594791984947	0.93031316864173	-0.27053290073443	0.082482969878193	0.13417541120798	0.049100646078496	0.072430834919495	0.36033401578199	0.30306315107787	0.074709536232238	-0.19817648818019	0.067780576326508	-0.12009001986195	0.50423902958992	-0.085309932459117	-0.14281701181267	1.3849674248283	-0.084738970272934	1.0793831451017	86.00897852667	90.61580327874	238.76796330574
11	0.73483008228047	0.78581829813407	0.23458323665337	0.83539826969484	0.41907631887029	1.049554520969	-0.057499045234685	0.42778962150136	0.1338329800618	-0.37261996074825	0.19731350823263	-0.73093346375461	0.011331632103407	0.36789280663451	-0.041100082370942	0.59244588472561	-0.13089171109305	0.019496859017369	0.66302131403655	0.13740899059124	1.0283611267704	65.773452468521	98.366482780691	233.43352221286
12	3.3311709915001	-1.951204994116	-0.35813514643979	3.2514989455859	0.21890295506654	1.0880188942365	-0.14628734705411	0.24899063307374	0.23559731931083	0.5089876279411	-0.067403034550866	-0.020061833744295	0.21621954597781	0.21107914966604	-0.14784472006253	0.7228807933286	-0.4487288463368	-0.16778625545714	1.1065783130712	-0.027477432769664	0.88254666558818	73.294533627781	94.630276545326	240.80822091438
13	1.3566945596465	-0.053126145949701	0.37566564325993	1.6126378380096	-0.17150769580089	2.0400396184124	-0.031094107702662	0.28823979972164	0.058565053867955	-0.17132808095599	-0.040811930788595	0.16632127478223	-0.23187582864752	0.025312133519421	0.081712815458991	0.3591437470893	-0.026756857789197	0.025317478347168	0.48811341113336	-0.02111065689404	0.39732035706425	-5.546689945117	63.284098111541	161.41810110538
14	0.88895044905936	-0.50067598216376	0.50286598945325	1.5625912679341	-0.076373921105973	1.2322143140975	0.040077949184518	-0.0066329399076406	0.016327662134276	0.17088553586488	-0.20064485215791	-0.054271192757799	0.059178995208711	0.03186202773664	0.1291793715469	0.38825263058766	-0.053910748744856	0.028737654846788	0.49396628545607	0.0088119225166145	0.34870676589901	2.2766496463357	56.23860411213	171.56182453632
15	1.6361843019263	-0.038276323270175	0.25362917021319	1.1869092753002	-0.031686289525747	1.0777620838738	-0.047199675781936	-0.17981225040041	-0.0092440432220652	0.088417542408052	-0.015861649783422	-0.015669835900018	-0.1513860922867	-0.19794173380433	0.11478784028575	0.43724562566541	0.013719414676643	-0.0084482660166493	0.33444136701375	-0.059515055252539	0.41541778478304	-21.448362030106	72.959273034551	191.92043023048
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48	1.4384355543817	0.52135523869987	-0.080710175734579	0.99028198564376	-0.84805267735796	0.8463451216934	-0.55436127890336	0.14869004059116	-0.29035882376952	-0.37512290207497	-0.30717859566948	0.69899272871887	0.36451780436825	-0.1104788916334	0.51882456989775	0.61232913616337	-0.098233104654438	0.05109605366914	0.29765948473806	-0.030004663989963	0.50514914602266	-0.39253649962542	41.459328155507	197.49314136721
49	3.9004063723341	-0.83062644558897	0.0068490836701619	2.7583700633617	-0.81885412045343	1.7311636773118	0.41865820707485	0.21888657686404	-0.83449520767083	-0.4121687081173	-0.20272831188706	0.13174554319944	0.54028521052888	0.47148391297627	-0.079569555850731	0.49845407935834	-0.024423524634977	0.037723533964591	0.36317257383315	0.014257308646618	0.53848918553307	-5.2541999174132	36.102509759081	204.27477837163
50	2.0317399546031	0.37458093434482	0.54175208419708	1.3562856405792	0.668017559536	2.5125934827778	-0.071527557809515	0.25713965797836	0.34283730628973	-0.17396172413716	-0.1058020627873	0.022839808365526	-0.19154102372219	0.16144794127641	0.14214119651561	0.38860586354029	-0.083087242881277	-0.016062554519598	0.39680943143735	0.098703059440416	0.38065117237553	32.137803840832	67.04623585591	204.55222677813
51	2.0824185610355	-0.18068465144846	-0.027114751885813	2.4603407729249	0.63309471450489	0.42332648013585	-0.082974001850711	0.12516392744511	0.16303584075818	-0.18379030241421	0.21628917683234	-0.086043059276791	-0.076667499593298	0.20756811380195	-0.10183137198183	0.38075938199854	-0.05476246639665	-0.094302105803689	0.41220215180115	0.09293570091074	0.34767790508558	32.501973967131	69.003738928116	206.45073183493
52	0.84819768981288	0.84204996383996	1.2097773039816	1.3078806189819	1.1697927663016	2.2691169661452	0.074526533573433	-0.057334899504909	-0.24441765962405	0.15786566844279	0.026725688083452	0.12011429274168	0.46452416587816	0.4882865577106	-0.076086894307721	0.37882712822375	-0.020873846055051	-0.027155645808709	0.30931295231656	0.014708220048831	0.27505251908417	25.078365373555	53.806059033378	188.88015618649
53	2.8912344007168	-0.078779550903052	-0.082496234793831	0.7449779607685	-0.44921721906705	1.0246161688899	0.0035482539072974	-0.1963667603582	0.22944029029864	-0.010018635066392	0.022614079779618	0.028174816662968	-0.03488924303839	0.16725866020842	0.0028290873280133	0.3756360027906	-0.089699735909113	-0.030459717851924	0.30201609757741	0.017030811953171	0.30316118550656	0.8531901906144	53.890145113716	194.95128952497
54	1.9326309466156	0.80273902034959	-0.48175043869868	2.1934790025081	0.1069219388892	2.4836032077253	0.074173676041264	-0.51824452036084	0.18867233503153	-0.0937648282587	-0.060595040236228	-0.4715218437487	-0.069756656081532	0.38783382648586	-0.020655331585921	0.4466751721206	-0.093795726276829	-0.055144726722471	0.37822183834559	-0.0031449654745998	0.30189228597839	10.209653215646	53.003241556004	197.43484155581
55	0.60359716075327	0.3469666398948	-1.1892101138749	0.17083503960218	-0.063676886984769	1.3218805686056	0.0059526341124805	-0.21638455604492	0.32967083255646	-0.32263188806127	0.049676668354835	0.20124157302725	-0.027971239166043	0.11491617561787	-0.014778265150169	0.51569990408097	-0.098562128165098	-0.05605207421208	0.19621749553481	0.0025894884567251	0.40259629297199	-2.8919991469698	59.100576206832	194.15348386427
56	3.1963301029355	-0.25920499736091	-0.94703864375511	1.1952911967812	0.087360097254397	1.9217745310279	0.2673500912901	0.355338639813	-0.10136771989499	-0.008235536952777	-0.1597770794809	-0.060698903156095	-0.17675055074903	0.020683511570057	-0.058638747613747	0.49478571980815	-0.014128095224921	-0.1169482182374	0.32464189832739	0.06888956668933	0.35213996048558	13.530416513365	58.996626973106	183.19197551069

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 0 through 84 )	A	A	0 - 84	1 - 85
2	2	chain 'A' and (resid 85 through 182 )	A	A	85 - 182	86 - 183
3	3	chain 'A' and (resid 183 through 270 )	A	A	183 - 270	184 - 264
4	4	chain 'B' and (resid 0 through 5 )	B	G	0 - 5	1 - 6
5	5	chain 'B' and (resid 6 through 19 )	B	G	6 - 19	7 - 20
6	6	chain 'B' and (resid 20 through 41 )	B	G	20 - 41	21 - 42
7	7	chain 'B' and (resid 42 through 51 )	B	G	42 - 51	43 - 52
8	8	chain 'B' and (resid 52 through 61 )	B	G	52 - 61	53 - 62
9	9	chain 'B' and (resid 62 through 71 )	B	G	62 - 71	63 - 72
10	10	chain 'B' and (resid 72 through 77 )	B	G	72 - 77	73 - 78
11	11	chain 'B' and (resid 78 through 90 )	B	G	78 - 90	79 - 91
12	12	chain 'B' and (resid 91 through 96 )	B	G	91 - 96	92 - 97
13	13	chain 'C' and (resid 0 through 84 )	C	H	0 - 84	1 - 85
14	14	chain 'C' and (resid 85 through 171 )	C	H	85 - 171	86 - 172
15	15	chain 'C' and (resid 172 through 270 )	C	H	172 - 270	173 - 266
16	16	chain 'D' and (resid 1 through 31 )	D	L	1 - 31	1 - 31
17	17	chain 'D' and (resid 32 through 42 )	D	L	32 - 42	32 - 42
18	18	chain 'D' and (resid 43 through 59 )	D	L	43 - 59	43 - 59
19	19	chain 'D' and (resid 60 through 75 )	D	L	60 - 75	60 - 75
20	20	chain 'D' and (resid 76 through 102 )	D	L	76 - 102	76 - 102
21	21	chain 'D' and (resid 103 through 116 )	D	L	103 - 116	103 - 116
22	22	chain 'D' and (resid 117 through 135 )	D	L	117 - 135	117 - 128
23	23	chain 'D' and (resid 136 through 150 )	D	L	136 - 150	129 - 143
24	24	chain 'D' and (resid 151 through 165 )	D	L	151 - 165	144 - 158
25	25	chain 'D' and (resid 166 through 184 )	D	L	166 - 184	159 - 175
26	26	chain 'D' and (resid 185 through 198 )	D	L	185 - 198	176 - 189
27	27	chain 'E' and (resid 3 through 94 )	E	M	3 - 94	1 - 92
28	28	chain 'E' and (resid 95 through 109 )	E	M	95 - 109	93 - 107
29	29	chain 'E' and (resid 110 through 124 )	E	M	110 - 124	108 - 122
30	30	chain 'E' and (resid 125 through 203 )	E	M	125 - 203	123 - 201
31	31	chain 'E' and (resid 204 through 225 )	E	M	204 - 225	202 - 223
32	32	chain 'E' and (resid 226 through 242 )	E	M	226 - 242	224 - 240
33	33	chain 'F' and (resid 0 through 5 )	F	N	0 - 5	1 - 6
34	34	chain 'F' and (resid 6 through 30 )	F	N	6 - 30	7 - 31
35	35	chain 'F' and (resid 31 through 51 )	F	N	31 - 51	32 - 52
36	36	chain 'F' and (resid 52 through 56 )	F	N	52 - 56	53 - 57
37	37	chain 'F' and (resid 57 through 71 )	F	N	57 - 71	58 - 72
38	38	chain 'F' and (resid 72 through 77 )	F	N	72 - 77	73 - 78
39	39	chain 'F' and (resid 78 through 90 )	F	N	78 - 90	79 - 91
40	40	chain 'F' and (resid 91 through 99 )	F	N	91 - 99	92 - 100
41	41	chain 'G' and (resid 1 through 17 )	G	Q	1 - 17	1 - 17
42	42	chain 'G' and (resid 18 through 52 )	G	Q	18 - 52	18 - 52
43	43	chain 'G' and (resid 53 through 75 )	G	Q	53 - 75	53 - 75
44	44	chain 'G' and (resid 76 through 108 )	G	Q	76 - 108	76 - 108
45	45	chain 'G' and (resid 109 through 120 )	G	Q	109 - 120	109 - 120
46	46	chain 'G' and (resid 121 through 155 )	G	Q	121 - 155	121 - 155
47	47	chain 'G' and (resid 156 through 165 )	G	Q	156 - 165	156 - 165
48	48	chain 'G' and (resid 166 through 185 )	G	Q	166 - 185	166 - 185
49	49	chain 'G' and (resid 186 through 200 )	G	Q	186 - 200	186 - 200
50	50	chain 'H' and (resid 1 through 63 )	H	R	1 - 63	1 - 63
51	51	chain 'H' and (resid 64 through 109 )	H	R	64 - 109	64 - 109
52	52	chain 'H' and (resid 110 through 124 )	H	R	110 - 124	110 - 124
53	53	chain 'H' and (resid 125 through 162 )	H	R	125 - 162	125 - 162
54	54	chain 'H' and (resid 163 through 188 )	H	R	163 - 188	163 - 188
55	55	chain 'H' and (resid 189 through 215 )	H	R	189 - 215	189 - 215
56	56	chain 'H' and (resid 216 through 245 )	H	R	216 - 245	216 - 245

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