PDB-7tuf: Crystal structure of Tapasin in complex with PaSta1-Fab

ID or keywords:

Entry

Database: PDB / ID: 7tuf

Title

Crystal structure of Tapasin in complex with PaSta1-Fab

Components

PaSta1 Fab heavy chain
PaSta1 Fab kappa light chain
Tapasin

Keywords

IMMUNE SYSTEM / PaSta / Fab / Antibody / IgG / MHC-I / HLA / peptide loading complex / PLC / antigen presentation / immune response

Function / homology

Function and homology information

MHC class Ib protein complex assembly / peptide antigen stabilization / Tapasin-ERp57 complex / MHC class I protein complex binding / TAP1 binding / TAP2 binding / regulation of protein complex stability / retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum / TAP complex binding / MHC class I protein binding ...
Similarity search - Function

Biological species

Homo sapiens (human)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.8 Å

Authors

Jiang, J. / Natarajan, K. / Taylor, D.K. / Boyd, L.F. / Margulies, D.H.

Funding support

United States, 1items

Citation

Journal: Nat Commun / Year: 2022
Title: Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation.
Authors: Jiang, J. / Taylor, D.K. / Kim, E.J. / Boyd, L.F. / Ahmad, J. / Mage, M.G. / Truong, H.V. / Woodward, C.H. / Sgourakis, N.G. / Cresswell, P. / Margulies, D.H. / Natarajan, K.

History

Deposition	Feb 2, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 7, 2022	Provider: repository / Type: Initial release
Revision 1.1	Sep 14, 2022	Group: Derived calculations Category: pdbx_struct_assembly / pdbx_struct_assembly_gen ...pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list Item: _pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details
Revision 1.2	Sep 28, 2022	Group: Database references Category: citation / citation_author / pdbx_database_related Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7tuf.cif.gz	712.1 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7tuf_validation.pdf.gz	510.2 KB	Display	wwPDB validaton report
Full document	7tuf_full_validation.pdf.gz	534.3 KB	Display
Data in XML	7tuf_validation.xml.gz	53.9 KB	Display
Data in CIF	7tuf_validation.cif.gz	72.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tu/7tuf ftp://data.pdbj.org/pub/pdb/validation_reports/tu/7tuf	HTTPS FTP

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Related structure data

Related structure data	7tucC 7tudC 7tueC 7tugC 7tuhC 3f8uS C: citing same article (ref.) S: Starting model for refinement
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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

D: Tapasin

H: PaSta1 Fab heavy chain

L: PaSta1 Fab kappa light chain

C: Tapasin

A: PaSta1 Fab heavy chain

B: PaSta1 Fab kappa light chain

hetero molecules

187 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	117.422, 68.988, 142.981
Angle α, β, γ (deg.)	90.000, 108.415, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein

Tapasin / TPN / TPSN / NGS-17 / TAP-associated protein / TAP-binding protein

Mass: 44739.641 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: TAPBP, NGS17, TAPA / Plasmid: pET21b / Cell line (production host): S2 / Production host:

Drosophila melanogaster (fruit fly) / References: UniProt: O15533

#2: Antibody

PaSta1 Fab heavy chain

Mass: 25499.457 Da / Num. of mol.: 2 / Fragment: Variable and Constant CH1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Mus musculus (house mouse) / Plasmid: pET21b / Cell line (production host): Expi 293S / Production host:

Homo sapiens (human)

#3: Antibody

PaSta1 Fab kappa light chain

Mass: 23266.652 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Mus musculus (house mouse) / Plasmid: pET21b / Cell line (production host): Expi 293S / Production host:

Homo sapiens (human)

#4: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

#5: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 53 / Source method: isolated from a natural source / Formula: H₂O

Has ligand of interest

N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.94 Å³/Da / Density % sol: 58.14 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 10% PEG 4000, 0.1M Hepes / PH range: 6.5-8.5

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Data collection

Diffraction	Mean temperature: 273 K / Ambient temp details: LN blow / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 14, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.8→47.45 Å / Num. obs: 527753 / % possible obs: 97.65 % / Redundancy: 3.8 % / B_iso Wilson estimate: 51.18 Å² / CC_1/2: 0.998 / CC star: 0.999 / R_merge(I) obs: 0.0871 / R_pim(I) all: 0.0517 / R_rim(I) all: 0.1016 / Net I/σ(I): 10.44
Reflection shell	Resolution: 2.8→2.9 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 1.05 / Num. unique obs: 5107 / CC_1/2: 0.483 / CC star: 0.807 / R_pim(I) all: 0.8211 / % possible all: 95.32

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3F8U

3f8u

Resolution: 2.8→47.45 Å / SU ML: 0.4639 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.0802
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2742	1997	3.79 %
R_work	0.2312	50732	-
obs	0.2329	52729	97.68 %

Solvent computation

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

Displacement parameters

B_iso mean: 69.1 Å²

Refinement step

Cycle: LAST / Resolution: 2.8→47.45 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11261	0	28	53	11342

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	11623
X-RAY DIFFRACTION	f_angle_d	0.6422	15987
X-RAY DIFFRACTION	f_chiral_restr	0.044	1838
X-RAY DIFFRACTION	f_plane_restr	0.0069	2055
X-RAY DIFFRACTION	f_dihedral_angle_d	14.181	1651

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 (%)
2.8-2.87	0.4211	138	0.3739	3502	X-RAY DIFFRACTION	94.72
2.87-2.95	0.4078	138	0.3583	3496	X-RAY DIFFRACTION	95.86
2.95-3.03	0.3878	139	0.3341	3569	X-RAY DIFFRACTION	97.17
3.03-3.13	0.3763	143	0.2891	3607	X-RAY DIFFRACTION	97.68
3.13-3.24	0.3064	141	0.2663	3622	X-RAY DIFFRACTION	98.48
3.24-3.37	0.2662	143	0.2547	3616	X-RAY DIFFRACTION	98.12
3.37-3.53	0.3042	143	0.2612	3622	X-RAY DIFFRACTION	98.41
3.53-3.71	0.3101	143	0.2396	3650	X-RAY DIFFRACTION	98.7
3.71-3.95	0.2782	144	0.2296	3653	X-RAY DIFFRACTION	98.39
3.95-4.25	0.2645	143	0.2085	3618	X-RAY DIFFRACTION	97.49
4.25-4.68	0.2318	143	0.1738	3644	X-RAY DIFFRACTION	97.83
4.68-5.35	0.2286	146	0.1748	3682	X-RAY DIFFRACTION	98.91
5.35-6.74	0.2442	145	0.2148	3692	X-RAY DIFFRACTION	98.56
6.74-47.45	0.2067	148	0.2047	3759	X-RAY DIFFRACTION	97.16

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	3.0752869348	3.17628233875	1.61349893334	5.3213166263	1.99146863951	3.62938580613	-0.193111835381	0.331965003158	0.320680796964	-0.88709686745	-0.222868729232	0.684374515282	0.441428408305	-0.86418854272	0.368141981586	0.675527131333	0.00528916675242	-0.0794324476997	0.848292851719	-0.234958163276	0.616632209244	-7.71177464515	38.8262152873	4.88511877295
2	2.70775683545	-0.364843852199	-1.59957423312	2.3224195127	0.497136609615	5.66733925957	-0.362232523408	0.200652514629	-0.353476280042	-0.172024669124	-0.280412787747	0.224182974219	0.462658942131	-0.0311270780936	0.566015587586	0.437489807717	-0.0384486575414	0.103619318075	0.265685478797	-0.0538889073767	0.40926685722	8.91730003035	37.9597383508	10.9454176029
3	7.24554363396	-1.74059717196	-5.43139656954	2.11085834685	2.29836335851	5.92869549891	-0.361536174439	-0.369350174541	-0.481533095775	0.0950703500438	0.15416686747	0.133033752257	0.733295066354	0.620937920509	0.242391051301	0.586668232518	-0.00647637280957	0.112545880911	0.40594104415	1.80583972222E-5	0.307300562381	16.8435426209	37.7270274561	10.0123753699
4	5.50163471618	-1.97091248907	0.818627576887	4.27201989082	0.4988343514	1.61767855834	-0.213933204781	0.367342785842	0.350785593368	-0.410423844924	0.0507865048365	-0.285797480904	0.145037100888	-0.284529885593	0.227140833727	0.769287067075	-0.157894970752	0.254830584578	0.787740932071	-0.0716634501222	0.387681504687	28.9261084782	40.3954485715	-32.8750555973
5	5.45385018816	3.04395534371	4.61015791108	4.38877474401	4.02797684932	5.58819331364	-0.41703828031	-0.394611216897	-0.0455548702793	-0.00882958173224	-0.32938924806	0.333531013314	0.833052280731	-0.904565662612	0.382960390407	0.530350185208	-0.0825215553973	0.254648268025	0.499262446932	0.0148153706667	0.333714889434	-5.02659634806	47.2665650825	50.22903908
6	2.63201871146	-1.76218443118	-0.40459489	2.56511031738	-1.09390887563	4.19758831339	-0.27214215913	-0.171099205008	-0.253537524719	0.659725601475	-0.0911752940514	-0.0491557483533	0.470681062201	-0.108338270057	0.245188541911	0.210652715544	-0.127883664	0.119263173123	0.366278268398	-0.0124656348481	0.277903151493	2.76307256601	48.6772051539	46.0879477295
7	3.16810188884	-1.09665843687	-1.16168438683	2.09695965358	1.2996010579	0.872573208359	-0.0359450428632	-0.590400270017	0.215082376545	0.196520079012	0.376675359019	-0.0425040333849	-0.642535594778	-0.414361029536	-0.210704912953	0.626980609535	0.0156482750957	0.170888817534	0.62926967377	0.00325958453045	0.292948609085	-10.4286614675	67.3248155791	61.3281673285
8	2.92575884216	-2.11718152671	0.672238736013	4.98763026114	0.72374983537	3.2117533477	-0.210525767895	-0.348647784851	0.0472907633138	0.66490332333	0.240609794046	0.391249338549	0.105769783403	-0.517529522612	0.00861805566252	0.554653761364	0.119227106641	0.203078211156	0.719215276396	-0.003908604151	0.357456443866	-16.4351540171	70.5285957951	64.2016195332
9	3.49139828444	-1.16485291726	-0.696178227469	1.36871675424	-0.0613533327547	1.85062133912	0.484754469165	0.18047683027	0.528352982301	0.116724751661	-0.312099402451	-0.209414450953	-0.574738931375	-0.0517033731191	-0.207219480767	0.565602166312	-0.101881025588	0.237840919242	0.355473338512	-0.0340404177194	0.42994713912	3.32371511092	72.2508293906	33.9334563293
10	3.0723217468	-0.974541375327	-0.16660148347	6.95164913018	0.242790484577	5.86526596139	0.085261267422	0.241172842586	-0.0118508503371	-0.110496617507	-0.330704119599	0.267872898564	-0.618452409878	-0.559171054266	0.24092694539	0.329793775969	0.041454138296	0.0616384596768	0.396496037548	-0.00871161012209	0.265625656669	-3.35014806767	64.9789024229	32.604965294
11	3.2319406683	-1.93583518593	-2.03302256356	4.2040316696	2.45374454861	3.99129411499	0.635372891495	-0.0977201646203	0.480256310418	-0.250944424733	-0.127913263786	-0.615476277386	-1.20916346815	-0.251004670962	-0.366908850141	0.345507823124	0.0106095621674	0.0798076732979	0.325245258512	-0.0663499795634	0.331730351238	-0.004502421964	69.9732827593	40.1779887476
12	1.23663870943	-0.146344920258	0.225122074157	0.44337067647	-0.709490752105	1.14281517007	-0.36436123265	-0.768165512489	-0.00520351191817	0.948351279394	0.15941981868	0.0240847843095	0.615243048802	-0.061073891649	-0.00246394489245	1.01062070486	0.298034470822	0.113157735881	1.12499004788	-0.419865735343	0.260930867696	-14.3911946366	79.4887199858	72.9308590014
13	2.38290151813	-0.531613570635	0.237367586631	1.39160482402	-1.47417562008	4.97873963006	-0.150136469941	-0.304370290555	0.587359065087	0.324747174729	0.2521697464	-0.608597562244	-0.239873520587	0.511758809114	-0.0652290486398	0.949258385299	0.117196510406	0.0930188815808	0.548684704923	-0.217402902696	0.604824452435	-8.04548720272	84.3441850687	58.660773791
14	0.994253232272	-2.25449259148	-1.4247773029	5.1187464555	3.15004807224	8.50541467223	-1.11372553138	-0.783693026923	0.882616417768	0.609638057796	0.561790945931	-1.15760814267	0.0864309684496	0.734247416318	-2.27110141315	0.987997076957	0.333093939618	-0.186790938006	1.26585412909	-0.732602390156	0.804461570059	-1.90603748541	85.9219444058	68.1095393146
15	4.50857769521	3.25316374176	2.63627909117	2.50768134061	2.3565912135	2.80121289887	1.12461632538	0.178753656768	-0.170559692226	0.41621301598	-0.267859563765	-1.65232623304	-0.0902979688035	0.0495261101714	-0.863372657107	0.920468770234	0.076287245693	0.209664736437	0.189402486762	0.0327336478039	0.826642600611	-10.8318125188	78.6005641916	47.5524191331
16	1.30271710934	0.394824877502	0.292573893776	0.528114427568	0.889532665199	1.60987005243	-0.0942054556482	-1.13473637107	0.797068868762	1.06642465697	0.957983567366	-0.786054549402	-1.18246654836	0.985242645515	-0.769007936925	1.40497575244	0.263225867953	0.0235406129856	1.03878788397	-0.527469993752	0.910789547839	-8.60770543299	88.3189596596	69.8758596117
17	3.7438335191	-1.01388192798	-0.854625922104	6.41478610615	-0.704559305729	1.04499831492	-0.484596717151	-0.8942001369	-0.455700311185	1.03167012417	-0.234224103377	-0.641520993933	0.92396114041	1.54156436796	0.545643904501	1.09820263826	0.383331422438	0.0385106708535	1.52294013046	0.352361451774	0.715140757464	42.0674859687	32.9154459055	58.3946529628
18	3.59663882463	0.723809212806	-4.79027052127	0.361468859748	-0.987819922417	6.66347705676	-0.544876805552	-0.40214505563	-0.270673028597	0.0561635318249	0.0708828090221	-0.131918018584	0.71093579502	0.00285366851382	0.383659384075	0.661378269942	0.136993524604	0.133622332945	0.516335835365	0.0375374687728	0.321793225014	21.1377075018	35.2758882459	56.9013877636
19	7.56909138556	-1.06204502727	-4.57201077245	4.04183386036	1.34414552576	3.87954338316	-0.124000681975	-0.0390504832368	0.282878325331	0.481413242637	0.0887106223076	-0.0517254948625	0.517264349475	-0.10883412565	0.0141651406494	0.76731086008	0.159549173946	0.0664589314421	0.744136246213	-0.00405001369122	0.385590998171	5.40542655274	36.7014102868	99.0563075968
20	7.53737389022	-3.00618361345	8.38807212224	3.04027790576	-2.95106798142	9.38864916759	-0.404522372353	0.912288803484	0.24181113058	-0.233188634251	-0.0689699981108	-0.483724783498	-0.18424406598	0.0975316185609	0.225258785545	0.189617517282	0.107352463099	0.136451852683	0.46503675468	-0.00536287107206	0.482067306845	38.0169302147	52.0082771349	10.3227125766
21	2.64384263843	1.82184870758	-0.142595723935	3.05176819064	1.12046380873	6.09395206859	-0.142024547114	0.173110504401	-0.203682712591	-0.206491631724	0.047237719019	-0.158426714572	0.268855043792	-0.0631780706794	0.0439240083373	0.197974699697	0.0594520705734	0.131440669191	0.211458116793	0.0134411588269	0.255345428139	33.8055808102	47.5172763684	20.7226189272
22	2.87278711556	1.07764183809	2.58743709602	3.10704233409	-2.70776281896	7.30066778737	-0.597744725386	-0.461565566803	-0.205855936338	-0.178872028094	0.626000972444	0.0975581800603	0.0342968056901	-0.381490240584	-0.144763616587	0.344751136453	0.0359715157682	0.209461126147	0.383170813674	-0.0783821638505	0.327278698555	33.0781601301	48.1470788665	12.3988916853
23	1.98925850326	0.935835054634	-1.10025976888	2.77063097578	-1.88379467833	3.53822989184	-0.0744294247577	0.261459999498	0.193636150229	-0.374994135602	0.022492916879	-0.513155309945	-0.24727440405	0.0872263030271	0.25835007326	0.462077725075	-0.0181016062549	0.286129911253	0.247282344859	-0.00957011306453	0.535423223404	43.248926232	61.8556599364	14.838039938
24	2.00262118485	0.579941732002	3.74497451452	5.14777536413	-3.94689492372	4.74531338728	-1.48163406641	0.210981998412	0.752454552422	-0.596087190142	0.378121629501	-0.678082617955	-0.184656873743	-0.353121905029	0.760963827056	0.697350761411	-0.026088825863	0.156143510919	0.702291809239	-0.0536950611307	0.452674569637	49.6873249721	74.4880192746	2.28991997298
25	2.22061843739	2.31791492758	3.85150139304	4.93664074186	2.60562235332	7.44277269034	0.261818717615	-0.638723067947	-2.53746844736	-0.203944321536	0.911190443046	-1.62637386982	0.598369721686	-0.137535499274	-1.16825745981	0.745959112171	-0.152219361308	-0.0595319431918	0.351385071597	0.0411431700484	1.16773029108	49.997929744	66.0399969122	6.19836033904
26	3.12781954063	0.976869088689	-0.200866937251	2.98587811718	2.10720238818	2.21513086662	-0.0807653461386	0.00618842795809	0.518493175091	-0.0204617455827	0.0659176390622	-0.280622408757	-0.506530582385	0.301322271048	0.156002724901	0.641581840151	-0.0637012136288	0.215801207764	0.331548971586	0.106383925649	0.611025947866	46.629745598	72.6728903664	8.35821749515
27	7.0713478748	0.680663642803	-2.86239226658	3.44389538284	0.775217649003	7.13729919424	0.06011984334	-0.366226755181	-0.0839191085932	-0.289826683113	0.0759168156338	-1.05323340787	0.112037683221	1.68601129959	-0.163655944459	0.82798157457	0.000684395906939	0.376914665012	0.665775416146	0.024059568923	0.848929153699	57.200414327	73.8247288274	5.17422312557
28	7.18347592679	2.31869672924	-3.257483146	1.65585847847	-3.50650834484	8.0996210034	-0.0667530446079	0.693965942927	-0.472614987771	-1.95740410815	-0.329752048964	-1.12328228654	0.220883444583	0.550219688511	0.174508882134	1.06438245959	0.0286457777235	0.413056900873	0.517522758821	-0.123761643564	1.05978504714	55.0420355455	68.3254887821	-2.32425350328
29	6.47965630309	4.38877680933	-1.25190600511	7.31982588579	-1.453549815	1.87796686896	0.733142222342	-0.259076541941	0.43891209126	0.74966925838	-0.30694574743	-0.0252852118285	-1.1097957415	0.007592581385	-0.396516607488	0.843353860329	0.0226355052557	0.279304222094	0.350299144729	-0.099458131593	0.453414758746	33.6627906648	70.6675962372	35.5831502836
30	1.36433441217	-0.82925012165	0.631111657738	5.17784257251	-3.1601868342	2.86845486587	-0.0616467899961	-0.0475152790889	-0.219317282785	-0.0877119319175	-0.629592134286	-0.708617923456	-0.592557040456	0.255825161062	0.444955187663	0.226701581003	-0.0909619324738	0.0395511510725	0.289291506349	-0.180231128373	0.377340261698	37.9825398549	60.4529792049	32.3135536298
31	9.88433167155	-0.656309483167	-2.20789685301	2.91856088543	-1.58927017133	3.84660287171	-0.0240150843436	-1.00619680941	0.365243134771	0.707052077449	0.0132781785442	-0.185650916565	-0.372438483956	0.482663902794	0.0934852110886	0.733676536533	-0.0188779990758	0.0213459997457	0.454524955733	-0.0455592417111	0.351776830476	40.9147801296	62.3560226951	40.657883136
32	1.83983414061	1.20103553688	-0.851256962616	3.11519764256	-1.60887268832	1.73076567794	0.325387718439	0.0241936099549	0.238967668886	0.210004743251	-0.232301408973	-0.148816663553	-0.850124339809	0.178734715463	-0.0528503848108	0.753515998922	-0.047020945576	0.100859601415	0.227482709213	-0.0621892567308	0.424186107105	39.4711512669	68.7598272132	30.6112335129
33	3.0145409564	1.08357604624	-0.996385611959	2.4984196615	1.20720166828	1.50717712946	-0.727494775167	0.576836004853	-0.713375885089	-0.468061171784	0.0628976437363	-0.366650216762	0.428464551333	0.00185172943079	0.483240974562	1.3678217593	-0.0513192100581	0.580312774128	0.361592579934	0.0741587531001	0.847282037014	51.1051262816	82.1304470301	-2.75116993605
34	4.45077237848	-0.0806598090656	1.90220469766	5.29376942918	-0.458765731135	3.04866673064	-0.523771203668	-0.163417626285	-0.223764804327	-0.577570802716	0.67776659124	-0.389651022769	-0.880591324941	-0.692859533054	-0.0742913462479	0.844493762405	0.0647237401533	0.195366295444	0.35950987368	0.221354009717	0.756847509884	45.1966240681	86.4538561954	10.5204054277
35	6.55064538851	-3.48737537522	4.70729953104	7.82303331817	-1.27323900939	3.63944011191	0.226724222658	0.30650454991	1.15193515536	-1.72537283177	-0.179290613451	0.440103622608	1.15418373291	-0.344519987411	0.213984192321	0.882118326541	0.0871902211128	0.11182460893	0.704080306849	0.164750561208	0.822422887206	39.1610821293	87.453942744	4.2265268855
36	1.8452824601	-0.751626215874	0.13492598078	4.17203247002	-3.38228363547	2.87288709116	0.0563477893285	-0.208191412288	-0.306102700158	0.304620928439	-0.313350445365	0.457173236963	0.346456420309	-0.0584654917219	-0.201155422448	1.02044667082	-0.202776701111	0.140580782382	0.0342796190066	-0.0779521386549	0.771844721117	48.5627904322	77.3960936944	22.4496533547
37	7.50399136718	0.995674042927	-0.180271090752	4.78158270015	3.97140437529	3.43809131165	-0.57916556042	1.10648343174	0.801502201852	-1.12736179072	-0.126323051301	0.837793445058	-2.74431806743	0.137040088682	0.843785941968	1.42949252677	-0.0909627167586	0.165914516551	0.420185663112	0.194270877463	0.823901645095	42.372419863	83.8871916026	-1.18014453617
38	4.3446121174	3.12006484173	3.61602530155	2.24327910274	2.5974463989	3.01116612404	-0.840094761676	0.373636403215	0.82439509766	-0.928197667379	-0.389039614436	0.0221295304043	-0.473766033563	-0.179215903323	1.03165765888	1.88930922316	0.0147604853048	0.204333495378	0.875443905173	0.343974983204	1.01902117833	45.469748925	92.5878021829	-2.2209895243
39	4.73624770404	-1.44052171625	2.12096472818	0.959848919484	-0.963348485103	5.94971509409	-0.179500362599	0.0853583282481	0.516658743805	-0.690875953147	0.446180417394	-0.775065529649	-1.96938799782	1.11888944518	-0.411058372006	1.24382686825	-0.0667673739343	0.646345297506	0.576903994414	-0.085747553762	0.884091327491	49.914503541	94.3549658836	8.06735073077

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 'D' and (resid 1 through 109 )	D	A	1 - 109	1 - 78
2	2	chain 'D' and (resid 110 through 199 )	D	A	110 - 199	79 - 161
3	3	chain 'D' and (resid 200 through 269 )	D	A	200 - 269	162 - 226
4	4	chain 'D' and (resid 270 through 388 )	D	A	270 - 388	227 - 343
5	5	chain 'H' and (resid 1 through 34 )	H	C	1 - 34	1 - 34
6	6	chain 'H' and (resid 35 through 106 )	H	C	35 - 106	35 - 106
7	7	chain 'H' and (resid 107 through 142 )	H	C	107 - 142	107 - 142
8	8	chain 'H' and (resid 143 through 221 )	H	C	143 - 221	143 - 221
9	9	chain 'L' and (resid 1 through 25 )	L	D	1 - 25	1 - 25
10	10	chain 'L' and (resid 26 through 89 )	L	D	26 - 89	26 - 89
11	11	chain 'L' and (resid 90 through 112 )	L	D	90 - 112	90 - 112
12	12	chain 'L' and (resid 113 through 127 )	L	D	113 - 127	113 - 127
13	13	chain 'L' and (resid 128 through 146 )	L	D	128 - 146	128 - 146
14	14	chain 'L' and (resid 147 through 162 )	L	D	147 - 162	147 - 162
15	15	chain 'L' and (resid 163 through 173 )	L	D	163 - 173	163 - 173
16	16	chain 'L' and (resid 174 through 210 )	L	D	174 - 210	174 - 210
17	17	chain 'C' and (resid 1 through 103 )	C	E	1 - 103	1 - 75
18	18	chain 'C' and (resid 104 through 278 )	C	E	104 - 278	76 - 237
19	19	chain 'C' and (resid 279 through 388 )	C	E	279 - 388	238 - 344
20	20	chain 'A' and (resid 1 through 17 )	A	G	1 - 17	1 - 17
21	21	chain 'A' and (resid 18 through 73 )	A	G	18 - 73	18 - 73
22	22	chain 'A' and (resid 74 through 91 )	A	G	74 - 91	74 - 91
23	23	chain 'A' and (resid 92 through 142 )	A	G	92 - 142	92 - 142
24	24	chain 'A' and (resid 143 through 152 )	A	G	143 - 152	143 - 152
25	25	chain 'A' and (resid 153 through 164 )	A	G	153 - 164	153 - 164
26	26	chain 'A' and (resid 165 through 181 )	A	G	165 - 181	165 - 181
27	27	chain 'A' and (resid 182 through 206 )	A	G	182 - 206	182 - 206
28	28	chain 'A' and (resid 207 through 221 )	A	G	207 - 221	207 - 221
29	29	chain 'B' and (resid 1 through 25 )	B	H	1 - 25	1 - 25
30	30	chain 'B' and (resid 26 through 47 )	B	H	26 - 47	26 - 47
31	31	chain 'B' and (resid 48 through 74 )	B	H	48 - 74	48 - 74
32	32	chain 'B' and (resid 75 through 112 )	B	H	75 - 112	75 - 112
33	33	chain 'B' and (resid 113 through 127 )	B	H	113 - 127	113 - 127
34	34	chain 'B' and (resid 128 through 149 )	B	H	128 - 149	128 - 149
35	35	chain 'B' and (resid 150 through 162 )	B	H	150 - 162	150 - 162
36	36	chain 'B' and (resid 163 through 173 )	B	H	163 - 173	163 - 173
37	37	chain 'B' and (resid 174 through 184 )	B	H	174 - 184	174 - 184
38	38	chain 'B' and (resid 185 through 196 )	B	H	185 - 196	185 - 196
39	39	chain 'B' and (resid 197 through 210 )	B	H	197 - 210	197 - 210

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