PDB-9o06: Structure of human MAIT A-F7 TCR in complex with human MR1-10-for...

ID or keywords:

Entry

Database: PDB / ID: 9o06

Title

Structure of human MAIT A-F7 TCR in complex with human MR1-10-formylmethylflavin

Components

Beta-2-microglobulin
Major histocompatibility complex class I-related gene protein
TCR-alpha
TCR-beta

Keywords

IMMUNE SYSTEM / receptor

Function / homology

Function and homology information

positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / beta-2-microglobulin binding / antigen processing and presentation of peptide antigen via MHC class I / T cell receptor binding / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions ...positive regulation of T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of exogenous antigen / MHC class I receptor activity / beta-2-microglobulin binding / antigen processing and presentation of peptide antigen via MHC class I / T cell receptor binding / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / 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 / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / negative regulation of neuron projection development / 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 / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / lysosomal membrane / innate immune response / external side of plasma membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Abdelaal, M. / Rossjohn, J. / Awad, W.

Funding support

Australia, 1items

Citation

Journal: To Be Published
Title: Major histocompatibility complex class I-related gene protein / TCR alpha /TCR beta / Beta-2-microglobulin complex
Authors: Abdelaal, M. / Rossjohn, J. / Awad, W.

History

Deposition	Apr 2, 2025	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 19, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9o06.cif.gz	829.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9o06.ent.gz		Display	PDB format
PDBx/mmJSON format	9o06.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9o06_validation.pdf.gz	1.7 MB	Display	wwPDB validaton report
Full document	9o06_full_validation.pdf.gz	1.7 MB	Display
Data in XML	9o06_validation.xml.gz	81.5 KB	Display
Data in CIF	9o06_validation.cif.gz	109.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/o0/9o06 ftp://data.pdbj.org/pub/pdb/validation_reports/o0/9o06	HTTPS FTP

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Related structure data

Related structure data	9o05C 9o07C 9o08C 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)

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-alpha

E: TCR-beta

F: Beta-2-microglobulin

G: TCR-alpha

H: TCR-beta

hetero molecules

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

1

Idetical with deposited unit
defined by author&software
Evidence: surface plasmon resonance

Unit cell

Length a, b, c (Å)	217.417, 70.319, 143.284
Angle α, β, γ (deg.)	90.000, 104.632, 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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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-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	TCR-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 , 4 types, 1094 molecules

#5: Chemical	ChemComp-A1B7N / (7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde Mass: 284.270 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₄H₁₂N₄O₃ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#7: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1086 / 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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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.82 Å³/Da / Density % sol: 56.34 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.3 / Details: Bis-Tris-propane, PEG3350 and sodium acetate

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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: 0.932218968868 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 10, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.932218968868 Å / Relative weight: 1
Reflection	Resolution: 2→48.16 Å / Num. obs: 141294 / % possible obs: 99.52 % / Redundancy: 2 % / B_iso Wilson estimate: 39.3 Å² / CC_1/2: 1 / Net I/σ(I): 10.29
Reflection shell	Resolution: 2→2.02 Å / Num. unique obs: 4721 / CC_1/2: 0.838

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Processing

Software

Name	Version	Classification
PHENIX	1.21_5207	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2→48.16 Å / SU ML: 0.2456 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.7494
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2099	7137	5.06 %
R_work	0.1727	133862	-
obs	0.1746	140999	99.51 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 53.42 Å²

Refinement step

Cycle: LAST / Resolution: 2→48.16 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12674	0	68	1087	13829

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0068	13484
X-RAY DIFFRACTION	f_angle_d	0.8319	18449
X-RAY DIFFRACTION	f_chiral_restr	0.0541	1969
X-RAY DIFFRACTION	f_plane_restr	0.0068	2489
X-RAY DIFFRACTION	f_dihedral_angle_d	13.8351	4922

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 (%)
2-2.02	0.3889	219	0.3405	4481	X-RAY DIFFRACTION	99.41
2.02-2.05	0.3475	230	0.3109	4433	X-RAY DIFFRACTION	99.42
2.05-2.07	0.3127	240	0.3022	4410	X-RAY DIFFRACTION	98.75
2.07-2.1	0.3121	256	0.2777	4322	X-RAY DIFFRACTION	99.03
2.1-2.13	0.3347	234	0.264	4452	X-RAY DIFFRACTION	99.36
2.13-2.15	0.2955	239	0.2364	4423	X-RAY DIFFRACTION	99.51
2.15-2.19	0.2715	202	0.2297	4491	X-RAY DIFFRACTION	99.55
2.19-2.22	0.2607	216	0.2214	4460	X-RAY DIFFRACTION	99.62
2.22-2.25	0.2807	255	0.2218	4373	X-RAY DIFFRACTION	98.99
2.25-2.29	0.2805	267	0.212	4408	X-RAY DIFFRACTION	99.47
2.29-2.33	0.2568	240	0.2085	4484	X-RAY DIFFRACTION	99.7
2.33-2.37	0.2553	236	0.2059	4400	X-RAY DIFFRACTION	99.7
2.37-2.42	0.2566	251	0.1967	4478	X-RAY DIFFRACTION	99.68
2.42-2.47	0.2569	236	0.1945	4427	X-RAY DIFFRACTION	99.57
2.47-2.52	0.2955	232	0.2031	4494	X-RAY DIFFRACTION	99.66
2.52-2.58	0.2649	240	0.1941	4429	X-RAY DIFFRACTION	99.68
2.58-2.64	0.2654	259	0.1904	4415	X-RAY DIFFRACTION	99.74
2.64-2.71	0.2594	257	0.1914	4500	X-RAY DIFFRACTION	99.6
2.71-2.79	0.2604	238	0.2022	4433	X-RAY DIFFRACTION	99.79
2.79-2.88	0.266	264	0.1983	4381	X-RAY DIFFRACTION	99.46
2.88-2.99	0.2374	235	0.194	4496	X-RAY DIFFRACTION	99.75
2.99-3.11	0.2357	223	0.1817	4457	X-RAY DIFFRACTION	99.36
3.11-3.25	0.2266	245	0.1731	4504	X-RAY DIFFRACTION	99.81
3.25-3.42	0.2051	242	0.1717	4464	X-RAY DIFFRACTION	99.68
3.42-3.63	0.1932	240	0.1593	4492	X-RAY DIFFRACTION	99.62
3.63-3.91	0.169	233	0.1496	4521	X-RAY DIFFRACTION	99.77
3.91-4.31	0.1639	215	0.1302	4509	X-RAY DIFFRACTION	99.66
4.31-4.93	0.1274	218	0.1144	4519	X-RAY DIFFRACTION	99.29
4.93-6.21	0.154	235	0.1422	4543	X-RAY DIFFRACTION	99.38
6.21-48.16	0.187	240	0.1746	4663	X-RAY DIFFRACTION	99.45

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	2.07913570738	0.0698665565391	-0.419618856416	1.9504575209	0.921324293173	1.82146385026	0.0365642094009	0.199869900137	0.215861651901	-0.217989040045	0.158830899609	-0.121488956809	0.000856001724861	0.228418182049	-0.18050258223	0.238138438904	-0.0490022252618	-0.0244640119001	0.371828041986	0.00247347023222	0.359809271883	49.4873108901	77.4830788603	223.846336341
2	2.21832178417	-0.18884929881	-0.145748543244	1.91218934222	0.265345247035	0.88759332052	-0.0169807224661	-0.0998013603684	0.316917867599	0.0491107531525	0.0624370050186	0.207714003625	-0.103821869665	-0.0300241991499	-0.0368319707295	0.295144387105	-0.00582346502399	-0.0030692077335	0.339362190816	0.00673838829069	0.394209155583	37.1022781054	80.5795996883	234.427993295
3	1.48048660855	-0.0326768765596	0.955516796391	1.03916574252	0.621703222574	1.48280352111	0.270245567412	0.0999768922896	-0.474403990974	0.172295188516	0.237836703931	-0.178671959594	0.475928327345	0.289529396855	-0.429112027214	0.432539019588	0.0777168295899	-0.0881088778478	0.436384469911	-0.0543761024841	0.440020501156	54.9640091846	63.4343280845	236.181806561
4	0.580155258462	0.336428725744	0.074968347774	1.43348497846	0.608180952875	2.18798119861	-0.212547781818	-0.236430508613	0.560464352076	0.26004753864	-0.00834288452238	0.0643213510135	-0.477040175305	-0.126778826559	0.28914175012	0.581209277074	0.182614801023	-0.17726931143	0.869138728717	-0.255531494885	0.710993794734	67.783204458	81.3160293521	255.675056957
5	1.11079175985	-0.215514357505	-0.337412868362	1.17768893911	-0.513942382511	1.69361313822	-0.118206464547	-0.285622553245	0.348522840936	0.300986731287	0.113342649324	-0.24827266938	-0.480589997401	0.162778922209	0.0345183349659	0.508515658821	0.157467711946	-0.132076835842	0.82557605533	-0.249361635516	0.641860037584	68.6217831757	79.7278734263	255.855015246
6	1.77496529121	0.263228791888	-0.988203826583	3.29285737566	-0.123339462623	1.73409288944	-0.213708923039	0.564605926776	0.139196735136	0.69993437428	0.2641767864	0.164871138393	-0.125107412047	0.332767869885	-0.0701857465854	0.509802072254	-0.0455830524857	-0.145018071366	0.671593373651	-0.10320737183	0.769581433899	60.5292302188	92.7627800975	237.793384819
7	2.45745702745	1.5694933417	-0.936084126342	2.03277136834	1.08470522177	3.1141464903	-0.492061435436	-0.527907424444	0.319709565569	0.135044020721	-0.403175388709	-0.81595476648	-0.0416209673345	1.3153755069	0.822022306495	0.462027024748	0.0221007843833	-0.236150647944	1.13790070661	-0.0215258563227	1.01407517861	82.0886122954	80.3344324775	240.896182057
8	1.83641071491	-0.134710925322	0.256490966371	0.67035039724	0.456637943157	0.936651239629	-0.0871198015218	0.345595675142	0.292398245673	-0.084785891136	0.118233106149	-0.398994371128	-0.234156932565	0.465619974722	-0.0179357179413	0.374826090737	-0.078485010566	-0.0353907404406	0.695950832405	-0.0187218765831	0.667721047191	66.4704605302	87.402757071	231.363818493
9	3.18336635784	-0.436780171488	0.418355056937	0.969868146867	-0.107200637358	1.34810313091	-0.0803554148418	0.143089103483	0.705051328397	0.452720908794	0.156837344423	-0.723272674438	-0.32938168619	0.953702025418	0.0151402395824	0.586246974544	-0.188990527737	-0.158655768137	0.809530857385	-0.049105658655	1.1351189387	72.7276437664	95.4534589228	235.744924376
10	1.6397781592	0.412234655766	-0.0858987272583	2.75435469414	-0.353161352484	2.11214833824	0.0203212973939	0.316569967854	0.12796374201	-0.0868998817921	-0.223849629603	0.190779208607	-0.233768390863	-0.0133049923685	0.207973935249	0.295126611282	-0.0114753205178	-0.00881600692134	0.417392562986	0.00489968567325	0.327357359661	-5.46910658113	63.1720561075	160.556900143
11	1.26212768768	0.225664915502	-0.278522442782	2.49040370231	-0.738007888084	1.02795236251	0.03058781727	-0.008081311428	-0.0374295648564	0.179888681882	-0.259424652169	0.0188850530892	-0.0394830843848	0.154580154566	0.213308204895	0.341244500348	-0.066580859602	0.0046975194027	0.451454165431	-0.0190087639642	0.274582761234	2.46967700505	56.5159181015	170.833593494
12	1.86908471471	0.210475629482	0.327461147517	1.09144355277	0.396750764629	0.875018335632	-0.0237021396496	-0.171370036392	-0.10292807953	-0.0150866506298	0.0320729940399	0.127465762015	-0.00289191775211	-0.170655322721	0.000796125301111	0.42589957823	0.0225050464434	0.0188434168927	0.289551832549	-0.0179849091195	0.44705012931	-21.2113463257	72.5979927425	191.223500119
13	2.16229045212	0.727083296601	-0.541039785535	0.803469403015	0.0141599538461	1.48309033817	-0.0709431643457	0.067064392463	0.0895387617973	0.0443955423186	0.00444250848086	-0.154921319959	0.0746068774008	0.137968936896	0.0771251540872	0.422528154185	-0.128355023132	-0.0406370206741	0.623170876786	0.172210651745	0.372694210765	27.4745668551	62.6939123103	159.796849724
14	2.12995607692	-0.440560216288	-1.58865925356	0.393287192437	0.38292497737	1.20106920634	0.301727567079	-0.646262178461	0.0659335907907	-0.178247091592	0.184086278867	-0.317645467316	0.0229971166796	0.731249015439	-0.457321742641	0.467675097571	-0.00242454828861	0.0201560600947	0.895086507714	-0.0351663402021	0.523233125142	53.7545605456	61.287301016	143.60391657
15	0.740172241225	-0.019759479966	0.762813120193	0.306544966287	0.583195300122	1.97157749548	0.0554577419528	0.375924284246	0.708171727513	-0.0508667320251	0.0808672917909	-0.405563970589	-1.03031422511	0.120654752533	-0.143665415112	0.706883221555	-0.087615329544	0.23786243624	0.908436686078	0.151932894144	0.911969250569	49.5133724785	72.0814146019	132.039062717
16	3.40787116746	-0.734706146965	-0.366827219631	1.8805474118	0.363656845283	2.88971199721	0.608386176413	-0.578919690449	-0.90686326899	0.214814563895	0.308158118612	0.100271583448	0.746526732511	-0.251750643876	-0.96021137629	0.893921698286	-0.0876186306382	-0.237881133417	1.23002766762	0.336142593535	0.795059915154	49.5982553633	51.5885118182	145.504850671
17	2.0148351354	-0.381348596442	0.439071005974	1.5008277995	0.95769640271	0.855417831649	-0.0422668605407	-0.197410564747	0.140613842139	-0.0417661455651	0.188557863133	-0.72468324346	0.151222074248	0.603252123395	-0.238219540277	0.63500255269	-0.169010810243	0.0631113823163	0.889832343258	0.210044937376	0.814981453192	54.893480345	64.2411894947	134.551260362
18	2.41789581866	0.553400079189	0.335843885312	0.866415317665	0.43776055181	3.32697374214	-0.114366229475	-0.707388343852	0.283026247051	0.292605704206	-0.0245436557501	-0.802828895225	-0.180482132788	0.728472363349	0.124107533073	0.710836745479	0.00110019726646	-0.0171983979972	0.944230160801	-0.0539638969391	1.01345661526	62.4116587763	66.9118637129	141.419730511
19	2.20003465371	-0.676837331579	-0.963411128328	0.511997066612	0.37241947605	1.21859170981	-0.125501670466	0.538507921505	0.118929012854	-0.114576011911	-0.102318972378	-0.0163892429146	-0.114209933006	-0.078870404017	0.205300989979	0.477900987998	-0.184526565119	-0.0570446722359	0.786105603741	0.166494290874	0.383697895823	15.3616462345	62.2059415448	139.391439154
20	4.35307570051	0.767597185451	2.06797059994	1.52304255581	0.242067267236	2.38287093808	0.611287177002	0.0314585148426	-1.03207772033	-0.33599655488	0.170536665162	0.0427482462016	0.75527431863	-0.141771637602	-0.73964661202	0.704283910863	-0.10809348586	-0.0676077225213	0.71352369152	0.0659920541258	0.491266143485	43.4741696118	55.5697027009	128.915938229
21	2.15708301833	0.809549494246	0.582345629958	1.28394756584	0.173788868099	2.12474282097	-0.120395444854	-0.14990925858	0.203134580803	-0.218866476719	0.0129392415847	0.202522697673	-0.471978157341	-0.225451130376	0.0916659806726	0.433235719606	0.0288856396887	-0.0454258063047	0.337198644979	-0.0409694172737	0.486231754796	-28.1923698765	67.654886975	176.093332407
22	1.90340159191	-1.11586819931	-0.56131788361	2.26748754363	0.211857069437	1.25054715708	0.00209924827532	0.652017435128	0.148598667187	-0.536603371685	-0.185159407644	0.226532134164	-0.389436276895	-0.165850989956	0.207871241991	0.479851919096	0.0177464395229	-0.112066582321	0.439724209566	-0.0385101923725	0.51793056412	-26.9134664695	64.818054611	168.717415151
23	3.89679701181	-0.394050067711	-0.32061636041	2.30493479779	0.132762429558	0.834296628124	-0.0296684689253	0.534938638332	0.480612317392	-0.809392796119	-0.00159727928905	0.0570168423616	-0.258901331166	-0.087038179077	0.0716862680344	0.580186215574	0.0188312806035	-0.102185719303	0.484405600095	-0.0568287071437	0.433748255475	-23.2384263338	65.4262403896	166.122644774
24	3.46799023967	-1.45907707483	-0.0917496576493	4.52864831076	0.696252856191	2.779242997	-0.348501798953	0.112265635134	0.550117349084	-0.460337434404	0.386370771933	0.127380284538	-0.565008475303	-0.00166170198319	-0.0710021480308	0.526940082856	-0.011568537658	-0.0898169454747	0.442217682368	-0.0076274208198	0.479941300321	-25.6487381977	70.2082167733	168.867789594
25	5.15479637352	-2.5491181337	-1.07130811903	2.445816359	2.95003790231	5.49042331879	-0.745996295066	-0.267857405573	0.209383160486	0.283983293782	-0.770338037436	0.308566511083	0.660329995531	-0.232299463869	1.31170609597	0.664910701929	0.207855166383	-0.0237314632332	0.720145236712	-0.161400670863	0.906938559111	-42.8720756586	74.1949483662	174.411522407
26	1.90683080139	-0.56833598444	0.159647717531	3.06096859175	0.517116062718	1.32927121706	-0.209078816488	-0.154016872234	0.0618127858307	0.160734616365	-0.0599758847594	0.482499346484	-0.294472955747	-0.223316691181	0.252302726482	0.391169555385	0.00209677657128	-0.0619755678421	0.507606890107	-0.150551583736	0.552548533458	-33.8856401176	60.7674540837	171.747831236
27	2.30937157968	1.09656747663	0.242660072443	1.4934732136	0.337016166249	0.983210267135	-0.0946715049016	0.0796054540164	0.0166439553621	0.0903708982248	0.0752788647765	0.083045369574	0.0235902633863	0.0366993183838	0.0141143369994	0.341574022407	-0.0310969847041	-0.0147691275833	0.272076454795	0.0315145010209	0.320334162556	21.9819058267	57.6632020462	222.246024876
28	2.62171896279	0.814268142697	-0.399070286909	1.8849633893	-1.04797223847	3.15077289025	0.0134626525466	-0.191874481146	-0.268917247654	-0.245571261773	-0.0580133395979	0.00352615489535	0.302315157878	0.0165622520192	0.0393261561519	0.405003580394	-0.0234522928984	0.00800487947472	0.273928161507	0.0380078799887	0.406259796072	-1.27634717234	43.2399961237	200.500723413
29	2.20723131742	0.855855092908	0.55458201079	1.46327022204	0.768495447059	1.57376130955	-0.169648130874	0.516455548982	0.247244751644	-0.234877294792	0.0778781334616	-0.057928511702	-0.241426921688	0.248418586829	0.0790212146725	0.383579736046	-0.107770232727	-0.0265509928852	0.494606873118	0.0815818846353	0.329693202312	33.1836808878	66.8749545582	202.764697032
30	0.836317342944	0.73823651089	-0.511518887615	3.21769903244	1.69004736129	2.10342333802	-0.149459313238	-0.0139891183673	-0.0329263362012	0.732854892034	0.211312204561	-0.121368023906	0.200829192146	0.553991578528	-0.085633184883	0.516624799804	-0.0452598077625	-0.11368623876	0.404947388473	0.0661189139402	0.466213089802	29.1553858976	71.4671611776	215.864536878
31	3.03639715315	0.382280588448	0.479499614705	1.36674105126	0.769619102042	2.42824270296	0.170617991374	-0.452313378726	-0.0727878951646	0.199366247513	-0.0778305910957	-0.330005829985	0.378770198733	0.417220890069	-0.020166222948	0.366954493676	-0.0538099204197	-0.00251919611738	0.43044522502	0.0256480493117	0.326282339803	25.0418011517	53.8495828831	188.421903266
32	3.22067433251	-0.318296593786	-0.747518597859	1.42579225109	-0.459396350466	2.631218088	0.136253602296	-0.417288370637	-0.159452190592	-0.0853963851634	-0.138619652319	-0.0595268936048	-0.149281312587	0.34109141421	-0.00542097597489	0.376197954074	-0.0595053024334	-0.00338188681876	0.27824983141	0.0214894296414	0.301893280406	3.76001455082	53.4104284321	195.410525391
33	0.385161246248	-0.440411392711	0.321345366078	0.79844703089	0.137051247796	1.32014063926	0.149042647432	0.200944813229	0.312893730945	-0.432049207742	0.146943647749	0.257971003759	-0.23900567631	0.144024756162	-0.279523195847	0.487247573282	-0.0471100415004	-0.0227918980824	0.285173202174	0.0734846106821	0.399210979326	-3.06736864137	62.2156605292	189.990387681
34	3.33832602479	-0.333324193021	-1.30990012961	1.853963715	0.149354913129	3.8425421486	0.201817624092	-0.181095724686	0.0886747879893	-0.00678974012954	-0.122985278885	-0.211396702087	0.0656874915867	0.791154685426	-0.0318344788021	0.43509786385	-0.105514304265	-0.0470400355439	0.509472131493	0.101593968716	0.406106776828	23.6892981476	58.7535616458	179.763826739
35	9.04046044197	-0.251733860255	-2.29647746022	1.74413837135	-0.0707144065643	2.67685000729	-0.365269904263	0.528853761572	0.093396395919	-0.0115493064476	0.22197521957	0.149963122625	-0.214267290568	-0.585172264277	0.11982182288	0.499277646917	-0.0208352296808	-0.054218946847	0.484220838874	-0.0100246004636	0.364967072893	-2.21770477532	59.2845815297	186.440601235

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 158 )	A	A	85 - 158	86 - 159
3	3	chain 'A' and (resid 159 through 182 )	A	A	159 - 182	160 - 183
4	4	chain 'A' and (resid 183 through 227 )	A	A	183 - 227	184 - 222
5	5	chain 'A' and (resid 228 through 270 )	A	A	228 - 270	223 - 265
6	6	chain 'B' and (resid 0 through 11 )	B	E	0 - 11	1 - 12
7	7	chain 'B' and (resid 12 through 19 )	B	E	12 - 19	13 - 20
8	8	chain 'B' and (resid 20 through 71 )	B	E	20 - 71	21 - 72
9	9	chain 'B' and (resid 72 through 97 )	B	E	72 - 97	73 - 98
10	10	chain 'C' and (resid 0 through 84 )	C	F	0 - 84	1 - 85
11	11	chain 'C' and (resid 85 through 171 )	C	F	85 - 171	86 - 172
12	12	chain 'C' and (resid 172 through 270 )	C	F	172 - 270	173 - 267
13	13	chain 'D' and (resid 2 through 102 )	D	H	2 - 102	1 - 101
14	14	chain 'D' and (resid 103 through 145 )	D	H	103 - 145	102 - 138
15	15	chain 'D' and (resid 146 through 155 )	D	H	146 - 155	139 - 148
16	16	chain 'D' and (resid 156 through 165 )	D	H	156 - 165	149 - 158
17	17	chain 'D' and (resid 166 through 185 )	D	H	166 - 185	159 - 177
18	18	chain 'D' and (resid 186 through 198 )	D	H	186 - 198	178 - 190
19	19	chain 'E' and (resid 3 through 124 )	E	I	3 - 124	1 - 122
20	20	chain 'E' and (resid 125 through 243 )	E	I	125 - 243	123 - 241
21	21	chain 'F' and (resid 1 through 19 )	F	J	1 - 19	2 - 20
22	22	chain 'F' and (resid 20 through 41 )	F	J	20 - 41	21 - 42
23	23	chain 'F' and (resid 42 through 61 )	F	J	42 - 61	43 - 62
24	24	chain 'F' and (resid 62 through 71 )	F	J	62 - 71	63 - 72
25	25	chain 'F' and (resid 72 through 77 )	F	J	72 - 77	73 - 78
26	26	chain 'F' and (resid 78 through 99 )	F	J	78 - 99	79 - 100
27	27	chain 'G' and (resid 2 through 108 )	G	M	2 - 108	1 - 107
28	28	chain 'G' and (resid 109 through 201 )	G	M	109 - 201	108 - 200
29	29	chain 'H' and (resid 1 through 94 )	H	N	1 - 94	1 - 94
30	30	chain 'H' and (resid 95 through 109 )	H	N	95 - 109	95 - 109
31	31	chain 'H' and (resid 110 through 124 )	H	N	110 - 124	110 - 124
32	32	chain 'H' and (resid 125 through 202 )	H	N	125 - 202	125 - 202
33	33	chain 'H' and (resid 203 through 215 )	H	N	203 - 215	203 - 215
34	34	chain 'H' and (resid 216 through 233 )	H	N	216 - 233	216 - 233
35	35	chain 'H' and (resid 234 through 245 )	H	N	234 - 245	234 - 245

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