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- PDB-9o05: Structure of human MAIT A-F7 TCR in complex with human MR1-riboflavin -

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Open data

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Basic information

Entry

Database: PDB / ID: 9o05

Title

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

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: 1.95 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

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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	9o05.cif.gz	848.6 KB	Display	PDBx/mmCIF format
PDB format	pdb9o05.ent.gz	579.4 KB	Display	PDB format
PDBx/mmJSON format	9o05.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9o05_validation.pdf.gz	1.1 MB	Display	wwPDB validaton report
Full document	9o05_full_validation.pdf.gz	1.1 MB	Display
Data in XML	9o05_validation.xml.gz	89.8 KB	Display
Data in CIF	9o05_validation.cif.gz	123.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/o0/9o05 ftp://data.pdbj.org/pub/pdb/validation_reports/o0/9o05	HTTPS FTP

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Related structure data

Related structure data	9o06C 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)

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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-alpha

E: TCR-beta

F: Beta-2-microglobulin

G: TCR-alpha

H: TCR-beta

hetero molecules

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

A: Major histocompatibility complex class I-related gene protein

B: Beta-2-microglobulin

G: TCR-alpha

H: TCR-beta

hetero molecules

defined by author
Evidence: surface plasmon resonance
94.7 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

C: Major histocompatibility complex class I-related gene protein

D: TCR-alpha

E: TCR-beta

F: Beta-2-microglobulin

hetero molecules

defined by author
94.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	217.380, 70.773, 143.629
Angle α, β, γ (deg.)	90.000, 104.702, 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 , 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 , 6 types, 1629 molecules

#5: Chemical	ChemComp-RBF / RIBOFLAVIN / RIBOFLAVINE / VITAMIN B2 Mass: 376.364 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₇H₂₀N₄O₆ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₃O₂
#7: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#8: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#9: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#10: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1617 / 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: 2.84 Å³/Da / Density % sol: 56.7 %
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: MX1 / Wavelength: 0.953723585849 Å
Detector	Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Oct 1, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.953723585849 Å / Relative weight: 1
Reflection	Resolution: 1.95→47.01 Å / Num. obs: 152073 / % possible obs: 98.67 % / Redundancy: 1.9 % / B_iso Wilson estimate: 31.87 Å² / CC_1/2: 0.999 / Net I/σ(I): 14.68
Reflection shell	Resolution: 1.95→1.97 Å / Num. unique obs: 5066 / CC_1/2: 0.743

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.95→47.01 Å / SU ML: 0.2059 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.792
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2009	7577	4.98 %
R_work	0.1642	144437	-
obs	0.166	152014	98.67 %

Solvent computation

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

Displacement parameters

B_iso mean: 42.86 Å²

Refinement step

Cycle: LAST / Resolution: 1.95→47.01 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12735	0	100	1622	14457

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0063	13547
X-RAY DIFFRACTION	f_angle_d	0.815	18514
X-RAY DIFFRACTION	f_chiral_restr	0.0541	1974
X-RAY DIFFRACTION	f_plane_restr	0.0071	2455
X-RAY DIFFRACTION	f_dihedral_angle_d	13.8485	4953

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 (%)
1.95-1.97	0.3088	239	0.2718	4825	X-RAY DIFFRACTION	98.01
1.97-2	0.2719	235	0.2508	4695	X-RAY DIFFRACTION	97.93
2-2.02	0.2886	238	0.2463	4813	X-RAY DIFFRACTION	98.12
2.02-2.05	0.2505	224	0.2416	4721	X-RAY DIFFRACTION	98.21
2.05-2.07	0.2721	248	0.2263	4776	X-RAY DIFFRACTION	98.26
2.07-2.1	0.2467	256	0.2126	4788	X-RAY DIFFRACTION	98.19
2.1-2.13	0.2474	256	0.2069	4743	X-RAY DIFFRACTION	98.25
2.13-2.16	0.2457	248	0.205	4796	X-RAY DIFFRACTION	98.48
2.16-2.2	0.2708	262	0.2	4792	X-RAY DIFFRACTION	98.54
2.2-2.23	0.2602	247	0.1936	4771	X-RAY DIFFRACTION	98.37
2.23-2.27	0.2534	264	0.1915	4766	X-RAY DIFFRACTION	98.49
2.27-2.31	0.2503	258	0.1874	4748	X-RAY DIFFRACTION	98.58
2.31-2.36	0.2534	268	0.192	4809	X-RAY DIFFRACTION	98.64
2.36-2.4	0.211	263	0.1742	4742	X-RAY DIFFRACTION	98.72
2.4-2.46	0.2291	235	0.1731	4866	X-RAY DIFFRACTION	98.91
2.46-2.51	0.2128	259	0.1768	4805	X-RAY DIFFRACTION	98.85
2.51-2.58	0.2526	223	0.1874	4824	X-RAY DIFFRACTION	98.92
2.58-2.65	0.257	262	0.1836	4819	X-RAY DIFFRACTION	98.99
2.65-2.72	0.2149	239	0.1745	4875	X-RAY DIFFRACTION	98.99
2.72-2.81	0.2337	247	0.1744	4831	X-RAY DIFFRACTION	99.04
2.81-2.91	0.2262	271	0.171	4812	X-RAY DIFFRACTION	99.18
2.91-3.03	0.2037	228	0.165	4836	X-RAY DIFFRACTION	99.08
3.03-3.17	0.2031	272	0.1681	4811	X-RAY DIFFRACTION	99.05
3.17-3.33	0.1895	264	0.1595	4849	X-RAY DIFFRACTION	99.05
3.33-3.54	0.1815	263	0.1513	4844	X-RAY DIFFRACTION	99.32
3.54-3.82	0.1828	239	0.1469	4884	X-RAY DIFFRACTION	99.01
3.82-4.2	0.1662	272	0.1345	4821	X-RAY DIFFRACTION	98.32
4.2-4.81	0.1353	260	0.1103	4823	X-RAY DIFFRACTION	98.34
4.81-6.05	0.1563	265	0.1359	4933	X-RAY DIFFRACTION	99.46
6.06-47.01	0.2018	272	0.174	5019	X-RAY DIFFRACTION	98.88

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	0.980400455851	-0.0180254273009	-0.285073133208	0.995887814805	0.845046356743	0.849104859301	-0.00943121687725	0.166470121611	0.139023476338	-0.156327365016	0.155884772675	-0.0834188627977	0.00909685427929	0.204194862249	-2.58154066456E-5	0.237836350839	-0.0518707743306	-0.0251099964	0.37472511257	0.00417378813593	0.315927372464	48.6879906053	77.6139537254	224.107591262
2	1.12159038816	0.0505607987209	-0.0623885609623	0.817446095047	0.437159052282	0.192005358757	-0.0161767322469	-0.0209817107249	0.20182023198	0.0687577585665	0.0606284357321	0.0891442147632	0.0221537759818	0.0411768480459	2.3172841349E-5	0.253676989277	-0.020076358441	-0.0106603701187	0.260884769378	0.0229825401444	0.331627083681	36.7403716645	80.5537837394	235.112682492
3	1.32085956516	-0.240426663675	0.669114533392	0.218002800637	-0.395245862728	0.554009126234	-0.104569861427	-0.144496906896	0.129681386953	0.103432965749	0.0907796701809	-0.0904503491579	-0.00962454055259	0.0667813811357	-0.0101171805798	0.264676013782	0.0774755679327	-0.0674540059592	0.429292796179	-0.132552423278	0.335848576948	64.5161731541	76.4035845207	251.386564871
4	0.175348494367	-0.0286753544089	-0.156844417885	0.124488115009	-7.80992823647E-5	0.152136787452	-0.0633473587904	-0.146171226455	0.184641144705	0.281355022868	0.146178571517	0.218038329069	-0.131153610652	0.408836602677	-0.00254494332663	0.309732350571	-0.0601247309865	-0.037014038142	0.394721979672	-0.0522341095404	0.6656500831	59.9377321082	92.7629265771	238.153894324
5	0.0417916752064	0.0534708422471	0.029011413566	0.0556467960482	0.0489518346076	0.10805848172	-0.169401507677	-0.185661658758	0.0640335130742	0.162398595825	-0.230457227019	-0.462772230621	0.0197806766628	0.578802794714	-0.105470595487	0.299413650364	0.00243861199175	-0.197359009649	0.811786265599	-0.0872468178417	0.805018258152	81.9618940728	80.2537659854	241.425648369
6	0.423302614133	-0.0118561856722	-0.0182997882932	0.0893396038672	-0.0472451046583	0.129787480964	0.285580945577	0.0514837669713	0.43206314958	-0.244360216973	-0.0331190370673	-0.250906445219	-0.366983637883	0.354066553121	0.10762471401	0.271606515656	-0.0835365665437	-0.0773531217101	0.5502280474	-0.066957856273	0.637065061718	68.6681476877	85.6411911511	235.974505934
7	0.0799612272886	-0.0117635620456	-0.0613397834896	0.00915216743159	0.0503376693215	0.106911045869	-0.0306701598846	0.496514874046	0.548112954683	-0.223306303344	0.170916074381	-0.149257280701	-0.529716149042	0.15234831405	0.0347093773452	0.336873603531	-0.182839866494	-0.00867022491016	0.512247613821	0.0603981470218	0.645275312949	64.204277535	93.2622651992	229.411292873
8	0.103098085746	0.0578666756644	-0.0747151916845	0.0745960982755	-0.111394395025	0.138309328294	-0.128306081046	0.251505649673	0.286898425057	-0.229845372211	-0.228971566364	-0.474260410158	0.0218177255974	0.253917502922	-0.16841110369	0.368797549223	-0.192748246647	-0.017797300376	0.906942208981	0.105342291351	0.80100593247	74.6810220897	89.7011259669	227.05580625
9	0.0540365878427	0.100056656246	-0.0900780931039	0.205631700695	-0.197024966145	0.0935771006714	-0.168964773997	0.275094825416	0.181820730086	0.0164957545867	0.0955509595387	-0.135599854201	0.0181195524745	0.144138662989	-4.38630007855E-5	0.308172632779	-0.0358535035142	-0.0288535703776	0.51503092595	-0.0267062630214	0.434622783489	62.1200329055	84.1776987178	232.859201174
10	0.173625567233	0.0817940790149	-0.170240584319	0.618003506515	-0.275165392724	0.222968933181	-0.0526831572141	-0.141326881076	0.123864801574	0.163100660661	0.0613788227134	-0.121895804002	-0.0113776990442	0.0437214138709	-0.00599979636932	0.253946832214	-0.385322075809	-0.1572084432	1.24104249503	0.110069243832	1.04754563343	85.562118283	90.7656816848	237.793143952
11	0.0283249371579	0.0168252170091	0.0543720803317	0.0207788084279	0.0664339162697	0.138241212477	0.0259655289683	0.287342298937	0.290111549758	0.0170108438708	-0.117641589339	-0.54170579943	-0.270444100552	0.398561896758	0.127340453255	0.380545559698	-0.198601680802	-0.106752283838	0.512244889885	0.103821630797	0.915503427906	65.6609447209	98.2811912722	232.521821768
12	0.293877656028	-0.419951295453	-0.147882805247	0.65367691192	0.21036763991	0.0994594470402	-0.040275560234	-0.144882412101	0.172185265916	0.445442081842	0.18835538591	0.29773915648	0.185536078453	0.585266870064	-0.0238731622032	0.452054535136	-0.144338900102	-0.210857321843	0.632497968894	-0.00622251208968	0.91476397005	74.3244080394	93.6628536885	240.602503879
13	0.807921789952	0.117192452318	-0.0781972533138	0.851897358039	-0.16682648389	1.06210354972	0.0280507866628	0.284345643038	0.0666070579301	-0.00327240072562	-0.106228783449	0.149015983903	-0.0949084521452	-0.0713922648653	-0.000333599111497	0.283517326846	-0.00904335132164	0.011076991824	0.299092385401	-0.014672408531	0.275908141406	-5.77545846181	62.5727036123	160.537941888
14	0.751462229777	-0.213051976493	-0.248855799449	1.39016527938	-0.862430509225	0.490563288516	0.0509330707537	0.00483139478055	-0.039668532195	0.202380812705	-0.176273616643	0.00125260770172	0.00950065315429	0.123039736654	-6.98192333683E-5	0.276630297997	-0.0471047295251	0.0228930483395	0.263300542786	-0.0200402952584	0.218176583362	1.95109357433	56.1530528655	171.163777711
15	0.726063357849	-0.289273563049	0.214491403957	1.16447581258	0.544194575792	0.538162860121	-0.0454920832363	-0.207517657161	-0.074585337471	0.0590678354313	0.0239574444432	0.146062387661	-0.0382177677326	-0.122166962314	0.00295684083693	0.345124847653	0.0191882843528	0.0496336407268	0.211919411267	0.0112559003824	0.361572925034	-21.3880503972	72.4092195163	191.810912248
16	1.00464748916	0.475266327234	0.0259039869288	0.286725318092	-0.228256005442	0.657700810787	-0.0405941766534	0.0610154031986	0.0858940603093	0.0429950212352	-0.0059786252054	-0.044177820885	-0.010247867161	0.113329555232	3.96632875516E-6	0.267014309872	-0.0539631919997	-0.0200829095759	0.385709241367	0.0841088915653	0.255160813376	27.0306958167	62.8252838019	160.198075178
17	0.35157584069	0.161683852775	0.00930639586975	0.401855627346	-0.143839662737	0.152273980406	0.179945453509	-0.0288919035648	-0.0649789119749	0.0548835329896	-0.0141139748645	-0.171892558336	-0.0533809703083	0.143909376155	0.0970135991199	0.177443709659	0.0332468330897	-0.000717590469969	0.567961812164	0.0603542963964	0.341140828481	53.0116036996	60.2101265689	142.998403032
18	0.0989862809144	-0.0171414433282	-0.0309142368893	0.129828000186	0.0824145370644	0.0386056899059	0.222889956145	-0.641193432188	0.823496482917	-0.366735384242	-0.169250850783	-0.297689956399	-0.42005300849	0.0702741019987	-9.21279747534E-5	0.607307092249	0.0858275338387	0.0587784398876	0.730922925249	-0.14781990705	0.783116485891	52.223576426	68.6975151879	141.759513823
19	0.463276342365	-0.132371916746	0.441350084756	0.494794656208	0.0190869959359	0.245440728344	-0.0113026317853	-0.397143879676	0.431273730198	0.208976291882	0.280853595022	-0.516115630469	0.311205529137	0.209990981982	0.0268128283195	0.372183915278	-0.024685923404	-0.00671836242422	0.615528847885	0.0883368064155	0.694166218221	54.3056025008	62.754131696	139.594213152
20	0.628233671473	-0.319164863028	0.206482613407	0.191700536085	-0.271299860697	0.187415370305	0.0350429134688	0.274962413925	-0.0886148371688	-0.00667081826609	-0.149601267478	0.00238980333589	0.149500807084	0.0403999077133	-0.000182871629839	0.308821693032	-0.0576444530366	0.00813338204011	0.406009365592	0.0604416435282	0.241128602526	15.2394732966	59.0623782105	137.970021521
21	0.974982103775	-0.518998796019	-0.49700540538	0.327071356513	-0.0787956296409	0.527133033233	-0.000213689313005	0.245667876804	0.0804084431065	-0.0207323328087	-0.133963898827	0.0540014205595	-0.0547890579633	0.00529646425732	1.12423593145E-5	0.294003526668	-0.0644583056197	-0.0111507550675	0.453801081961	0.0740585380899	0.253008860945	11.8358490218	64.9907104899	140.987745839
22	0.0999617063389	-0.0339818530127	0.0850390290771	0.344158737041	-0.0998080806412	0.0620888476923	-0.0978119730413	0.0435860574011	-0.277176955698	0.0657249446004	-0.1181538188	-0.0620696962602	-0.140005180705	-0.223850600078	8.08372715722E-5	0.304221660341	-0.0635482479306	0.0239850693207	0.4415844963	0.0687377066195	0.283810554319	13.7336907969	56.3005942433	153.113136554
23	0.107867311348	0.0610596483575	0.075027634544	0.115216871959	0.128898217024	0.121050961523	0.16948415422	0.147711099906	-0.0686676660271	-0.194236914472	0.151620927038	0.136291087636	0.0798560135243	-0.11581244676	0.0210150132382	0.387096743162	-0.0448089083134	0.0568832335443	0.542097956185	0.15071748791	0.337382878644	27.4550032021	67.7557311753	125.236722447
24	1.44437374312	0.535631727517	1.24634128628	0.597494365357	0.408646288152	0.701988378932	0.271636874646	0.1373624901	-0.357478127447	-0.0620058494791	0.119053819747	-0.0208896568849	0.241593459929	0.172141566886	-4.38304546604E-5	0.366543979984	0.0660826962605	0.00199189182334	0.469548005445	0.0345996381177	0.348655070967	45.9286107829	56.8455471136	132.782794044
25	0.673429044815	-0.085405784045	-0.690020595037	1.02676190071	-1.12883606568	2.13496137023	0.239446617107	0.325832936716	-0.922485582319	0.148429063939	0.515530745112	-0.710449551298	0.49458431325	0.167311482599	0.638652208451	0.629569293904	0.109802146579	-0.301774501786	0.45516090047	-0.277472162983	0.962970321138	44.1828323758	47.6138621261	128.105040724
26	0.0887356662838	-0.200075942407	0.0408714725932	0.461086307144	-0.0189578444509	0.0173586907152	0.0917613820746	0.693948185818	-0.349029760839	-0.353311636044	0.0783367817529	0.728326400021	-0.176026757998	-0.228502801796	0.00614308312161	0.661649702625	-0.0485386894968	-0.0480802775318	0.69516719496	0.0489390976262	0.364185404524	26.2709343512	62.4034110368	117.006958765
27	0.77115027389	0.748252392174	-0.616252026033	1.026024152	-0.742861086949	0.559290116372	0.258106356458	-0.0661179125327	-0.124495654357	0.0230839985509	0.509889856444	-0.0889648455631	0.499691211456	0.599127829015	0.70108355786	0.639094958701	0.218393652502	-0.227591785266	0.622510586373	-0.34564987693	0.473706127999	46.850662298	48.7295283763	124.370158096
28	0.00496289484039	-0.018575870075	-0.000988103656949	0.0160053684762	-0.0179709223587	0.000189382994155	0.0503144951638	0.147914211593	-0.446766211674	0.0326575014779	-0.103991780388	-0.21704951552	0.114235670714	0.285203525032	3.78744903061E-5	0.366755279313	0.00644421028232	0.0206827866621	0.256020188402	-0.0605482009734	0.521970810489	-20.4382180458	48.9811013048	171.408355641
29	0.0310027359988	0.0363400656098	-0.0115595129245	0.0314493213597	-0.0342203960483	0.0331879329369	-0.0170983149419	0.0215332682873	-0.153736894364	-0.128133856379	-0.122686678742	-0.100956925877	-0.393555657947	-0.295153415042	0.000198342982467	0.361787193456	0.00845938409272	-0.0123192766021	0.247774349345	-0.0148094006097	0.35971165735	-27.9347631673	65.5734375307	177.13616226
30	0.0678366711368	0.0132257247643	0.194679642109	0.0256933011652	0.0634776303238	0.525378949405	-0.43203823683	0.131779769082	0.13430858283	-0.504706611859	-0.313561375289	0.496338329385	-0.852039523135	-0.580759075201	-0.176549889001	0.571551578552	0.180294897903	-0.0432521771537	0.311855634643	-0.0487064716506	0.543609010608	-33.7519805132	80.1180360658	179.125249587
31	0.0249779442655	0.0263512845308	-0.0479622943217	0.028686547355	-0.000808650379296	-0.00914156008897	-0.114815919783	0.470302961545	-0.0106996094396	-0.190754371211	-0.000775841863042	0.218320043294	-0.256123805098	-0.0190103232128	-0.000975852964629	0.372090024309	0.0159013398167	-0.031426381373	0.242970505637	-0.00218243879857	0.382297896627	-26.5363566902	68.5208330728	173.05186472
32	-0.0062927987501	-0.0298844119293	-0.0443866000885	0.0544409477145	-0.0659249119859	0.143938778492	-0.0113332954264	0.330815519833	-0.11425172037	-0.524838245068	-0.0453611484692	0.0237054018918	0.0247829733457	-0.18059084071	-0.0169081976043	0.343977115967	-0.00695258087634	-0.0803065283592	0.390136529256	-0.0591760396455	0.381837991385	-27.8145086834	60.5158816234	165.508238196
33	0.0494087292326	-0.0327287671394	0.0512677103805	0.0594549869569	0.00376623146131	0.0317668640156	-0.147497147994	0.349267470246	0.0654188185759	-0.715926366095	-0.00349440980748	0.390749655904	-0.410271184261	-0.224720503422	-0.000593606666888	0.502911928021	0.0851426869412	-0.123681049834	0.630316425977	0.0193628902758	0.617560825973	-33.9379588696	69.8423398431	163.700629978
34	0.066493627929	0.0145150379396	0.0256925731159	0.0382858349651	-0.00876705973138	-0.000714344600292	-0.178392070182	0.251671544101	0.0348683281648	-0.207526160062	0.241990380896	-0.24209966654	0.0293526546082	-0.0735646493422	-0.000183245873389	0.336997063017	-0.0256676627561	0.0339935974739	0.297326602628	-0.0222044505624	0.326244801435	-13.6908575247	60.3226454963	169.936384814
35	0.107651912844	0.0749536915989	0.105838270831	0.0704009942454	0.144745635065	0.112112215144	-0.123282570031	0.493184380993	0.119407760674	-0.150793616646	0.0159709812831	0.0738547441899	-0.22361884994	-0.0325706188889	-0.00392006652575	0.403677643414	0.0455083660007	-0.0359007416432	0.285427685659	0.0173390587857	0.369062849556	-25.8330551839	69.7169080729	169.462336096
36	-0.00091315181609	-0.00476154807642	-0.00328858879678	0.0189025135111	0.0137713067051	0.0050846633234	-0.0159718126663	0.0427212741032	0.067040313145	0.01689725457	-0.17684097367	0.227903875762	0.103171490861	-0.338072143819	3.12363396787E-5	0.477422004203	0.116418145065	0.0050582203359	0.736429293215	-0.0805488402261	0.893025397686	-43.1848171572	73.6463727155	174.905497902
37	0.0637495136238	-0.00219587376067	-0.0881001219531	-0.000110705046603	0.000574780796669	-0.0192045551276	0.0157191383722	0.595017441219	-0.199808451191	-0.548984490311	-0.224453424	0.404496392478	-0.0446083695114	-0.350677714804	-3.73152473632E-5	0.316092832246	-0.0355991469964	-0.0417847173204	0.408418553577	-0.143940696591	0.455952581263	-32.3871727615	56.5094044993	167.935746156
38	0.021206883044	-0.0445241595893	0.0255367056065	0.0937413891863	-0.0627580458908	0.0185700189775	-0.044145550325	-0.0501190793303	0.315102421289	0.308190935593	0.00349855163323	-0.13350824732	-0.37032820602	-0.110804284767	0.000134746998576	0.429585650961	0.016973498245	-0.00931981229441	0.441334872559	-0.106734990382	0.520501605558	-36.3578364396	66.0690934654	178.165741513
39	0.996102317394	0.543938806488	0.369433243477	1.1288366006	0.351169085406	0.540038458729	-0.0453624333139	0.0785556154597	0.00279177900209	0.0591790235243	0.0831936992178	0.00547355212252	0.0477437184629	0.0622907379179	9.63566105771E-6	0.265750730476	-0.0461751007356	0.000165741428236	0.219471180892	0.031117659645	0.244467589939	21.5446313115	57.4392219722	222.793390367
40	1.5138690812	0.501258092047	0.00380609373538	0.809361096844	-0.599730536315	1.23966014564	0.000601570386813	-0.214100278591	-0.208404610877	-0.200914670343	-0.104246838663	-0.0222177266964	0.200375023233	0.14118887319	1.64272599287E-5	0.357707886454	-0.00801914059387	0.0410493111977	0.186409473195	0.046886629083	0.289453601075	-1.71268471176	43.4162972432	201.373326439
41	0.908222710594	0.297122179347	0.0844251180775	0.547060259158	0.646141198583	0.815494496883	-0.141832137517	0.378966069906	0.149606071973	-0.0625316747246	0.0626306919165	0.0438216883593	-0.107621108615	0.238056658207	0.00145372349798	0.285150379125	-0.113613795534	-0.028843850905	0.411463660507	0.0747798865212	0.240294295909	32.7481547617	67.6529084781	203.755078896
42	0.399963177614	0.131706580727	-0.169548176113	0.410465500218	0.126400981375	0.163169526854	-0.126533042511	0.282047876669	0.134045331918	-0.0321690945665	0.141161001973	-0.0487143866979	-0.185431567603	0.346063832111	2.13577341378E-5	0.293172010957	-0.0867418130383	-0.0248658056193	0.417238132434	0.0491357410342	0.262520038189	31.1715476498	66.3350783878	206.77373784
43	0.174195195921	-0.0818304829424	0.16333611304	0.0861557631273	0.0409990661314	0.220111511577	0.155628796022	-0.253903790023	-0.239590976003	0.112899351641	-0.0808683823195	0.085145199385	0.197736717439	0.496121803648	0.00644030253876	0.323805990058	0.00378934785841	-0.00706732926074	0.440304901305	0.0529569985502	0.284747760124	25.0633889429	53.4005385962	188.23149183
44	0.373534490755	-0.434492358308	0.201223403947	0.637709974817	-0.57574830048	0.737253622452	0.136982639429	-0.175195980479	0.0498983837397	-0.0124274510873	-0.0755093667244	0.0420761660911	-0.0551125320636	0.0958945009322	-7.16584894629E-7	0.298102901405	-0.0479178933375	0.0123768421154	0.239050269672	0.0039993250021	0.253740121597	0.808343425731	53.4566988017	194.506656449
45	0.669252739927	0.784046526551	-0.151379778673	0.99110021856	-0.555137095584	1.08038633666	0.0999691287229	-0.517557722014	-0.039846226766	-0.0545809072291	-0.025392188294	-0.0314935285621	-0.14166161789	0.336457934254	0.0109917525876	0.327558461419	-0.0306544952759	-0.000477478698089	0.265629183283	0.026851085684	0.236582450708	4.87320290736	53.3504461858	197.012843204
46	0.108933086403	-0.134353883805	-0.342886955764	0.0407046201844	0.260386718563	0.970965946119	0.0211240822743	-0.101499571474	0.212956290083	-0.0511270800527	0.175992277243	0.0557538019768	-0.279302295293	0.211753072971	0.144230784828	0.43345106522	-0.0672582122337	0.018913019487	0.21888140255	0.0804027413984	0.337396095637	-2.15361925681	62.4538323398	190.247005849
47	0.197784856845	-0.109535206028	0.0643563600417	0.0429042026524	-0.0771976934484	0.125329640751	0.215861625364	-0.29773297189	-0.244742261451	-0.0608901258457	-0.105556093904	-0.179034525384	0.101028154975	0.433454721726	-4.02290525316E-5	0.354914207871	-0.0536278281998	-0.0329010142885	0.411252837557	0.0474459362909	0.323539625385	23.2429178783	58.5184108468	180.198136586
48	0.0485063878954	-0.0614061737211	0.053538074008	0.261325766882	-0.00411071027846	0.0618913484562	-0.032034948101	0.130293792967	0.10835313043	-0.173687978725	0.0922032062943	0.201820480818	-0.178292592144	-0.0222669540223	4.32100154681E-5	0.349766125247	-0.0432696949359	-0.013117395253	0.325069124269	0.02755844055	0.342900164914	-2.53645058845	59.235863535	187.007247035

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 270 )	A	A	159 - 270	160 - 265
4	4	chain 'B' and (resid 0 through 11 )	B	D	0 - 11	1 - 12
5	5	chain 'B' and (resid 12 through 19 )	B	D	12 - 19	13 - 20
6	6	chain 'B' and (resid 20 through 30 )	B	D	20 - 30	21 - 31
7	7	chain 'B' and (resid 31 through 41 )	B	D	31 - 41	32 - 42
8	8	chain 'B' and (resid 42 through 51 )	B	D	42 - 51	43 - 52
9	9	chain 'B' and (resid 52 through 71 )	B	D	52 - 71	53 - 72
10	10	chain 'B' and (resid 72 through 77 )	B	D	72 - 77	73 - 78
11	11	chain 'B' and (resid 78 through 90 )	B	D	78 - 90	79 - 91
12	12	chain 'B' and (resid 91 through 97 )	B	D	91 - 97	92 - 98
13	13	chain 'C' and (resid 1 through 84 )	C	E	1 - 84	1 - 84
14	14	chain 'C' and (resid 85 through 171 )	C	E	85 - 171	85 - 171
15	15	chain 'C' and (resid 172 through 270 )	C	E	172 - 270	172 - 266
16	16	chain 'D' and (resid 1 through 102 )	D	H	1 - 102	1 - 102
17	17	chain 'D' and (resid 103 through 135 )	D	H	103 - 135	103 - 129
18	18	chain 'D' and (resid 136 through 150 )	D	H	136 - 150	130 - 144
19	19	chain 'D' and (resid 151 through 198 )	D	H	151 - 198	145 - 189
20	20	chain 'E' and (resid 3 through 37 )	E	I	3 - 37	1 - 35
21	21	chain 'E' and (resid 38 through 94 )	E	I	38 - 94	36 - 92
22	22	chain 'E' and (resid 95 through 109 )	E	I	95 - 109	93 - 107
23	23	chain 'E' and (resid 110 through 124 )	E	I	110 - 124	108 - 122
24	24	chain 'E' and (resid 125 through 203 )	E	I	125 - 203	123 - 201
25	25	chain 'E' and (resid 204 through 215 )	E	I	204 - 215	202 - 213
26	26	chain 'E' and (resid 216 through 233 )	E	I	216 - 233	214 - 231
27	27	chain 'E' and (resid 234 through 245 )	E	I	234 - 245	232 - 243
28	28	chain 'F' and (resid 0 through 5 )	F	K	0 - 5	1 - 6
29	29	chain 'F' and (resid 6 through 11 )	F	K	6 - 11	7 - 12
30	30	chain 'F' and (resid 12 through 19 )	F	K	12 - 19	13 - 20
31	31	chain 'F' and (resid 20 through 30 )	F	K	20 - 30	21 - 31
32	32	chain 'F' and (resid 31 through 41 )	F	K	31 - 41	32 - 42
33	33	chain 'F' and (resid 42 through 51 )	F	K	42 - 51	43 - 52
34	34	chain 'F' and (resid 52 through 61 )	F	K	52 - 61	53 - 62
35	35	chain 'F' and (resid 62 through 71 )	F	K	62 - 71	63 - 72
36	36	chain 'F' and (resid 72 through 77 )	F	K	72 - 77	73 - 78
37	37	chain 'F' and (resid 78 through 90 )	F	K	78 - 90	79 - 91
38	38	chain 'F' and (resid 91 through 99 )	F	K	91 - 99	92 - 100
39	39	chain 'G' and (resid 1 through 108 )	G	O	1 - 108	1 - 108
40	40	chain 'G' and (resid 109 through 200 )	G	O	109 - 200	109 - 200
41	41	chain 'H' and (resid 1 through 73 )	H	Q	1 - 73	1 - 73
42	42	chain 'H' and (resid 74 through 109 )	H	Q	74 - 109	74 - 109
43	43	chain 'H' and (resid 110 through 124 )	H	Q	110 - 124	110 - 124
44	44	chain 'H' and (resid 125 through 162 )	H	Q	125 - 162	125 - 162
45	45	chain 'H' and (resid 163 through 203 )	H	Q	163 - 203	163 - 203
46	46	chain 'H' and (resid 204 through 215 )	H	Q	204 - 215	204 - 215
47	47	chain 'H' and (resid 216 through 233 )	H	Q	216 - 233	216 - 233
48	48	chain 'H' and (resid 234 through 245 )	H	Q	234 - 245	234 - 245

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