PDB-6c4j: Ligand bound full length hUGDH with A104L substitution

ID or keywords:

Entry

Database: PDB / ID: 6c4j

Title

Ligand bound full length hUGDH with A104L substitution

Components

UDP-glucose 6-dehydrogenase

Keywords

OXIDOREDUCTASE / hUGDH / human UDP-Glucose Dehydrogenase

Function / homology

Function and homology information

Formation of the active cofactor, UDP-glucuronate / chondroitin sulfate biosynthetic process / UDP-glucose 6-dehydrogenase / UDP-glucose 6-dehydrogenase activity / UDP-glucuronate biosynthetic process / heparan sulfate proteoglycan biosynthetic process / glycosaminoglycan biosynthetic process / gastrulation with mouth forming second / protein hexamerization / neuron development ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.53 Å

Authors

Beattie, N.R. / Pioso, B.J. / Wood, Z.A. / Sidlo, A.M.

Funding support

United States, 1items

Citation

Journal: Biochemistry / Year: 2018
Title: Hysteresis and Allostery in Human UDP-Glucose Dehydrogenase Require a Flexible Protein Core.
Authors: Beattie, N.R. / Pioso, B.J. / Sidlo, A.M. / Keul, N.D. / Wood, Z.A.

History

Deposition	Jan 12, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 16, 2018	Provider: repository / Type: Initial release
Revision 1.1	Dec 5, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2	Dec 26, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.3	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Mar 13, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6c4j.cif.gz	2.1 MB	Display	PDBx/mmCIF format
PDB format	pdb6c4j.ent.gz	1.8 MB	Display	PDB format
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Validation report

Summary document	6c4j_validation.pdf.gz	7.3 MB	Display	wwPDB validaton report
Full document	6c4j_full_validation.pdf.gz	7.3 MB	Display
Data in XML	6c4j_validation.xml.gz	189.5 KB	Display
Data in CIF	6c4j_validation.cif.gz	249.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c4/6c4j ftp://data.pdbj.org/pub/pdb/validation_reports/c4/6c4j	HTTPS FTP

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Related structure data

Related structure data	6c4kC C: citing same article (ref.)
Similar structure data	2qg4-1 2o3j-1 3khu-d 2qg4-4 6c4k-2 2qg4-5 6c5z-d 5tjh-d 3itk-d 5w4x-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#254 - Feb 2021 Cellulose Synthase similarity (1) #111 - Mar 2009 Hydrogenase similarity (1) #228 - Dec 2018 Directed Evolution of Enzymes similarity (1) #127 - Jul 2010 Crystallins similarity (1)

Deposited unit

A: UDP-glucose 6-dehydrogenase

B: UDP-glucose 6-dehydrogenase

C: UDP-glucose 6-dehydrogenase

D: UDP-glucose 6-dehydrogenase

E: UDP-glucose 6-dehydrogenase

F: UDP-glucose 6-dehydrogenase

G: UDP-glucose 6-dehydrogenase

H: UDP-glucose 6-dehydrogenase

I: UDP-glucose 6-dehydrogenase

J: UDP-glucose 6-dehydrogenase

K: UDP-glucose 6-dehydrogenase

L: UDP-glucose 6-dehydrogenase

hetero molecules

678 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: UDP-glucose 6-dehydrogenase

B: UDP-glucose 6-dehydrogenase

C: UDP-glucose 6-dehydrogenase

D: UDP-glucose 6-dehydrogenase

E: UDP-glucose 6-dehydrogenase

F: UDP-glucose 6-dehydrogenase

hetero molecules

defined by author&software
Evidence: AUC
339 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: UDP-glucose 6-dehydrogenase

H: UDP-glucose 6-dehydrogenase

I: UDP-glucose 6-dehydrogenase

J: UDP-glucose 6-dehydrogenase

K: UDP-glucose 6-dehydrogenase

L: UDP-glucose 6-dehydrogenase

hetero molecules

defined by author&software
339 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	403.550, 112.590, 184.670
Angle α, β, γ (deg.)	90.00, 98.50, 90.00
Int Tables number	5
Space group name H-M	C121

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Protein , 1 types, 12 molecules ABCDEFGHIJKL

#1: Protein	UDP-glucose 6-dehydrogenase / UDPGDH Mass: 55136.020 Da / Num. of mol.: 12 / Mutation: A104L Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: UGDH / Production host: Escherichia coli (E. coli) / References: UniProt: O60701, UDP-glucose 6-dehydrogenase

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Non-polymers , 6 types, 646 molecules

#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-UPG / URIDINE-5'-DIPHOSPHATE-GLUCOSE / URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER Mass: 566.302 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₁₅H₂₄N₂O₁₇P₂
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO₄
#6: Chemical	ChemComp-PGO / S-1,2-PROPANEDIOL Mass: 76.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₂
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 595 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.14 Å³/Da / Density % sol: 60.77 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 3 mM UDP-Glc, 5mM NADH, PEG 3350, Ammonium Sulfate, NaCl, 1,2 propanediol, Tris pH (8.6)

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: RAYONIX MX300-HS / Detector: CCD / Date: Oct 25, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.53→48.6 Å / Num. obs: 272746 / % possible obs: 100 % / Redundancy: 7.5 % / Net I/σ(I): 9.81
Reflection shell	Resolution: 2.53→2.5587 Å

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Processing

Software

Name	Version	Classification
PHENIX	(1.12_2829: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing
Coot		model building

Refinement

Resolution: 2.53→48.632 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.07 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2141	13635	5 %
R_work	0.1802	-	-
obs	0.1819	272629	99.93 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.53→48.632 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	43014	0	1043	595	44652

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	44958
X-RAY DIFFRACTION	f_angle_d	0.604	61006
X-RAY DIFFRACTION	f_dihedral_angle_d	17.894	16764
X-RAY DIFFRACTION	f_chiral_restr	0.045	6989
X-RAY DIFFRACTION	f_plane_restr	0.004	7696

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 (%)
2.53-2.5587	0.3844	454	0.3275	8621	X-RAY DIFFRACTION	100
2.5587-2.5888	0.3702	450	0.3186	8538	X-RAY DIFFRACTION	100
2.5888-2.6204	0.3182	454	0.3015	8616	X-RAY DIFFRACTION	100
2.6204-2.6535	0.3596	449	0.3021	8533	X-RAY DIFFRACTION	100
2.6535-2.6885	0.3412	456	0.2999	8674	X-RAY DIFFRACTION	100
2.6885-2.7253	0.3426	451	0.2802	8544	X-RAY DIFFRACTION	100
2.7253-2.7642	0.3169	453	0.2639	8616	X-RAY DIFFRACTION	100
2.7642-2.8055	0.3099	451	0.2604	8574	X-RAY DIFFRACTION	100
2.8055-2.8493	0.3079	451	0.2583	8555	X-RAY DIFFRACTION	100
2.8493-2.896	0.2994	455	0.2476	8651	X-RAY DIFFRACTION	100
2.896-2.9459	0.288	453	0.2424	8607	X-RAY DIFFRACTION	100
2.9459-2.9995	0.2712	452	0.2327	8575	X-RAY DIFFRACTION	100
2.9995-3.0572	0.2806	453	0.2238	8614	X-RAY DIFFRACTION	100
3.0572-3.1196	0.2677	455	0.2308	8640	X-RAY DIFFRACTION	100
3.1196-3.1874	0.2637	453	0.2228	8595	X-RAY DIFFRACTION	100
3.1874-3.2615	0.26	451	0.2195	8580	X-RAY DIFFRACTION	100
3.2615-3.3431	0.2422	456	0.2197	8648	X-RAY DIFFRACTION	100
3.3431-3.4334	0.2493	455	0.216	8653	X-RAY DIFFRACTION	100
3.4334-3.5344	0.2378	454	0.2063	8623	X-RAY DIFFRACTION	100
3.5344-3.6485	0.2275	453	0.1903	8599	X-RAY DIFFRACTION	100
3.6485-3.7788	0.219	454	0.1736	8632	X-RAY DIFFRACTION	100
3.7788-3.9301	0.1915	458	0.1713	8683	X-RAY DIFFRACTION	100
3.9301-4.1089	0.1949	454	0.1576	8624	X-RAY DIFFRACTION	100
4.1089-4.3254	0.1659	456	0.144	8662	X-RAY DIFFRACTION	100
4.3254-4.5962	0.1662	454	0.1358	8617	X-RAY DIFFRACTION	100
4.5962-4.9507	0.1633	456	0.1339	8675	X-RAY DIFFRACTION	100
4.9507-5.4483	0.1829	457	0.1451	8698	X-RAY DIFFRACTION	100
5.4483-6.2353	0.204	460	0.1619	8723	X-RAY DIFFRACTION	100
6.2353-7.8505	0.1875	460	0.1483	8757	X-RAY DIFFRACTION	100
7.8505-48.6407	0.1492	467	0.1351	8867	X-RAY DIFFRACTION	99

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	1.7274	-0.7092	0.6804	2.9766	-0.5918	2.0099	0.5365	0.3748	-0.2288	-1.6605	-0.3121	0.2204	1.2966	-0.0305	-0.1846	1.5145	-0.0485	-0.2069	0.7122	-0.0123	0.7136	-68.6415	-63.9534	6.0353
2	2.5515	0.3855	-0.1812	1.3191	0.079	1.0045	0.0053	0.1992	-0.2693	-0.2328	0.1003	-0.2449	0.3105	0.0565	-0.098	0.6482	-0.0202	-0.0373	0.3673	-0.0712	0.4915	-41.6107	-54.5007	22.0933
3	1.3247	0.8094	0.4639	2.8644	0.141	1.7458	0.4831	-0.5981	-0.2861	1.0855	-0.4778	0.2401	0.9437	-0.5914	-0.019	1.3023	-0.3808	-0.0182	0.8832	0.068	0.6452	-51.2045	-63.5651	64.9432
4	1.9198	1.0028	0.6737	3.4932	1.0138	3.142	0.2472	-0.2304	-0.4503	0.675	-0.131	-0.3604	0.7698	0.0051	-0.1139	0.9514	-0.079	-0.1657	0.4615	0.0731	0.6235	-41.5672	-64.8675	54.6066
5	1.9999	-0.2304	-0.5185	0.8264	-0.1886	0.781	0.0265	-0.1532	-0.1047	0.1353	0.0516	0.0643	0.1972	-0.2581	-0.0673	0.5635	-0.0959	-0.0816	0.4072	0.0328	0.4184	-67.0828	-51.1903	41.5227
6	2.6003	-1.039	0.1034	1.7344	-1.1672	2.2241	-0.0631	-0.2388	-0.5745	0.1696	0.1445	0.3908	0.2098	-0.3723	-0.0852	0.6811	-0.1644	0.0162	0.7367	0.1247	0.7762	-85.6984	-53.7093	45.6335
7	2.5647	0.5623	0.5089	2.9013	0.9277	2.5178	-0.0463	0.3595	-0.1528	-0.4319	0.2607	-0.6714	-0.1297	0.522	-0.2085	0.5216	0.0336	0.1027	0.547	-0.0823	0.715	-8.2571	-27.916	28.3597
8	1.4571	-0.3615	0.3052	1.2809	-0.7358	1.6359	0.0322	0.3725	0.2011	-0.2073	0.0371	-0.0797	-0.0349	0.1541	-0.0628	0.3873	-0.0307	0.0238	0.4496	-0.0182	0.4542	-33.6521	-5.3863	22.5699
9	5.8733	1.5662	-0.9786	3.8377	-0.3544	3.3613	0.0599	-0.2721	0.121	0.6713	0.0555	0.2454	0.0734	0.2536	-0.1019	0.5476	0.1005	0.0264	0.6044	-0.1228	0.4265	-38.3531	12.7626	64.2697
10	2.8073	-0.6952	0.0019	2.604	0.1008	2.281	-0.2712	-1.2658	0.0153	0.6458	0.4418	0.1075	0.1521	0.4128	-0.156	0.7458	0.1715	0.1004	0.8729	-0.0398	0.5025	-39.9601	7.5937	72.5786
11	1.3171	-0.5906	-0.15	2.6806	0.4945	0.6724	-0.0684	-0.1355	0.1023	0.2062	0.0931	0.1985	-0.0243	0.0204	-0.028	0.3675	-0.0034	0.0143	0.3574	-0.0078	0.3914	-39.585	1.5999	50.8023
12	0.7729	0.0149	0.4655	2.7876	-1.3046	2.2023	0.2372	-0.3195	-0.0682	0.5873	-0.1514	0.0172	0.1615	0.012	-0.0962	0.6386	-0.098	-0.0259	0.5222	-0.0391	0.4617	-37.6614	-26.7288	60.4056
13	3.0109	0.1197	-0.0975	2.1624	0.557	3.4808	0.1726	0.2331	-0.1938	-0.2886	-0.102	-0.0214	-0.0863	-0.2322	-0.0851	0.4841	0.037	0.0134	0.3943	0.1239	0.5061	-70.1333	7.7643	-7.747
14	0.8661	0.4356	-0.323	1.3872	-0.3934	1.0895	0.06	-0.0564	0.1225	-0.0434	-0.0362	0.0187	-0.0619	-0.1102	-0.0248	0.4253	-0.0094	-0.0277	0.4639	0.1111	0.5218	-70.3618	1.0272	10.8579
15	0.8805	0.4843	0.4261	3.2613	1.0785	2.2371	0.104	0.2209	0.0138	-0.6185	-0.0747	0.1181	0.2912	-0.1545	-0.0285	0.6504	-0.0221	-0.0712	0.6203	0.1168	0.4917	-74.3842	-27.4743	3.1338
16	1.9054	-1.0729	-0.3346	3.0122	0.1505	2.9785	0.0543	-0.2501	0.3141	0.2332	-0.0216	0.4039	-0.1199	-0.2747	-0.0402	0.5091	-0.1513	0.0647	0.8038	-0.0108	0.7692	-109.0485	-17.5583	41.9873
17	1.7425	-0.3537	0.0451	2.1177	-0.2356	0.8162	-0.0611	0.0409	-0.0101	-0.0244	0.0386	0.1776	0.0491	-0.1584	0.0132	0.4192	-0.1365	-0.016	0.7556	-0.0092	0.5938	-99.7214	-27.9151	32.9778
18	1.1299	0.3945	0.2586	1.2201	0.5237	1.1283	0.018	-0.0941	0.1946	0.0232	-0.0065	0.0959	0.0498	-0.2683	-0.0114	0.3717	-0.0508	0.0193	0.5645	0.0811	0.5398	-78.1893	-9.6598	34.6603
19	2.633	0.8508	0.1629	2.5079	0.7079	2.4931	0.0105	-0.1874	0.6383	0.1254	-0.0464	0.3866	-0.2479	-0.4477	0.0301	0.3907	0.0361	0.0556	0.5935	-0.0578	0.7586	-76.0278	6.3525	46.7604
20	2.5416	1.1204	0.3266	2.7913	0.6541	2.9418	0.1111	-0.3327	-0.204	0.3375	-0.0239	0.1446	0.0571	-0.1779	-0.0806	0.4219	0.092	0.0675	0.4786	0.1134	0.5534	-97.1836	-104.2033	155.7692
21	1.9665	0.2639	-0.3893	2.0132	-0.2526	1.5967	-0.0016	0.1648	-0.2753	-0.0357	0.0303	0.066	0.0941	-0.1728	-0.0332	0.3729	0.0352	0.049	0.4849	-0.0149	0.5809	-93.788	-107.1723	139.7328
22	1.3468	0.5124	-0.1925	1.291	0.5554	1.6843	0.0781	-0.0562	0.0262	0.1141	0.033	0.0024	-0.1125	0.1632	-0.1154	0.3766	0.0731	0.1038	0.5146	0.0858	0.5164	-84.0427	-80.0561	138.819
23	1.622	1.5731	-0.0718	3.0203	-0.2125	2.6279	0.1929	-0.4781	0.3075	0.312	-0.2155	0.1011	-0.4314	0.0279	0.0171	0.6171	-0.0055	0.1807	0.7369	-0.0308	0.5647	-83.344	-68.3136	153.8062
24	3.1427	0.5045	-1.0026	2.0013	-0.6925	2.1967	-0.0117	0.9377	0.7278	-0.2566	0.2542	0.4623	-0.2455	-0.5313	-0.2425	0.6437	0.1254	0.0462	0.9118	0.2689	0.8933	-104.1883	-56.3953	115.4005
25	1.9101	-0.3545	-0.142	1.238	1.0552	1.7543	0.1145	0.8519	-0.2656	-0.2625	-0.1109	0.3395	-0.106	-0.3447	-0.0021	0.4703	0.1347	-0.0008	0.9838	0.017	0.6961	-94.4355	-88.9479	108.7438
26	2.7088	1.4996	-0.6196	2.8773	-0.6286	1.9192	0.4378	-0.7671	0.1987	0.5387	-0.4763	-0.2276	-0.4801	0.298	0.039	0.8044	-0.1871	0.081	0.7855	-0.0377	0.7722	-53.9934	-47.5727	151.2826
27	1.8596	-0.9236	0.0402	2.1481	-0.0356	0.5568	0.0262	-0.1681	0.149	0.5221	0.0068	-0.3734	-0.0503	0.2285	-0.0362	0.7115	-0.1116	-0.0548	0.6172	-0.0134	0.5259	-36.5403	-69.554	132.4465
28	1.6532	-0.2051	-0.073	2.1691	0.0358	0.9933	-0.0388	0.6875	0.3901	-0.3517	0.1566	0.0117	-0.5011	0.26	-0.1043	0.8363	-0.072	0.0365	1.1644	0.1875	0.6468	-39.8696	-52.077	90.9951
29	1.4232	0.6343	0.5621	2.5859	0.6095	1.7174	-0.0051	0.5089	0.1594	-0.1613	0.1407	-0.3243	-0.257	0.5254	-0.1417	0.6055	-0.0989	0.0766	1.0202	0.0944	0.6332	-30.2346	-57.7777	99.504
30	2.1057	0.0723	-0.0564	1.338	-0.1199	0.7224	0.0278	0.4603	0.317	-0.0387	0.101	0.1523	-0.1972	0.0138	-0.1255	0.565	-0.0356	0.0648	0.6124	0.1128	0.5028	-57.1898	-55.3545	111.6717
31	2.5217	-0.1249	-0.3285	1.8498	-0.6013	2.0145	0.0415	0.2221	0.6539	-0.0885	0.2522	0.4529	-0.5575	-0.1526	-0.2747	0.7686	0.0343	0.1078	0.6839	0.2687	0.9517	-72.0804	-40.8887	111.036
32	1.8017	-0.3985	0.4196	3.4514	-0.4417	2.897	0.1007	-0.1415	-0.3392	0.0575	-0.2767	0.01	0.24	0.3541	0.1751	0.3754	0.0771	0.0039	0.6586	0.0794	0.6621	-23.7915	-118.1776	128.9414
33	1.1619	0.3451	0.4897	2.2611	-0.2339	1.5203	-0.0225	0.2611	-0.0817	-0.0321	-0.18	-0.1582	-0.0432	0.2082	0.1812	0.3651	0.0645	-0.0058	0.6927	0.0747	0.5738	-26.242	-104.1731	120.6139
34	1.2917	0.1889	-0.6948	0.7535	-0.2493	1.0578	-0.078	0.0129	-0.3547	0.0625	-0.0262	0.112	0.0883	0.0858	0.1125	0.3994	0.1155	-0.008	0.5991	-0.0672	0.6216	-54.4579	-108.6227	121.8925
35	2.8441	0.3002	-0.5714	1.497	-0.5003	2.3986	-0.2694	-0.2593	-0.8604	0.0279	0.0412	0.0274	0.5024	0.2179	0.2008	0.4776	0.172	0.0681	0.554	0.0465	0.8957	-64.8642	-121.4975	133.5385
36	1.1573	0.3386	0.2185	0.7182	-0.1259	1.4668	-0.0523	0.4229	-0.2976	-0.2167	0.0217	0.1745	0.2889	-0.2418	0.022	0.5551	0.0448	-0.0742	0.8246	-0.2805	0.7624	-66.977	-114.9441	92.0753
37	1.7315	0.6729	-0.5461	1.8213	-0.9241	1.6975	0.1225	0.48	-0.068	-0.3268	-0.0756	0.1527	-0.0309	0.1555	-0.0504	0.5306	0.1641	-0.0935	0.8621	-0.1243	0.4846	-48.153	-90.1404	91.2846

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 204 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 205 through 466 )
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 1 through 118 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 119 through 212 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 213 through 372 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 373 through 466 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 1 through 212 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 213 through 466 )
9	X-RAY DIFFRACTION	9	chain 'D' and (resid 1 through 38 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 39 through 81 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 82 through 276 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 277 through 466 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 1 through 81 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 82 through 276 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 277 through 466 )
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 1 through 81 )
17	X-RAY DIFFRACTION	17	chain 'F' and (resid 82 through 204 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid 205 through 372 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid 373 through 466 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 1 through 81 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 82 through 212 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid 213 through 372 )
23	X-RAY DIFFRACTION	23	chain 'G' and (resid 373 through 466 )
24	X-RAY DIFFRACTION	24	chain 'H' and (resid 2 through 212 )
25	X-RAY DIFFRACTION	25	chain 'H' and (resid 213 through 466 )
26	X-RAY DIFFRACTION	26	chain 'I' and (resid 1 through 204 )
27	X-RAY DIFFRACTION	27	chain 'I' and (resid 205 through 466 )
28	X-RAY DIFFRACTION	28	chain 'J' and (resid 2 through 118 )
29	X-RAY DIFFRACTION	29	chain 'J' and (resid 119 through 204 )
30	X-RAY DIFFRACTION	30	chain 'J' and (resid 205 through 389 )
31	X-RAY DIFFRACTION	31	chain 'J' and (resid 390 through 466 )
32	X-RAY DIFFRACTION	32	chain 'K' and (resid 1 through 80 )
33	X-RAY DIFFRACTION	33	chain 'K' and (resid 81 through 204 )
34	X-RAY DIFFRACTION	34	chain 'K' and (resid 205 through 372 )
35	X-RAY DIFFRACTION	35	chain 'K' and (resid 373 through 466 )
36	X-RAY DIFFRACTION	36	chain 'L' and (resid 1 through 276 )
37	X-RAY DIFFRACTION	37	chain 'L' and (resid 277 through 466 )

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