PDB-8vyt: Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L...

ID or keywords:

Entry

Database: PDB / ID: 8vyt

Title

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411

Components

Estrogen receptor

Keywords

NUCLEAR PROTEIN / Estrogen Receptor

Function / homology

Function and homology information

regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / nuclear estrogen receptor activity / epithelial cell proliferation involved in mammary gland duct elongation ...regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / nuclear estrogen receptor activity / epithelial cell proliferation involved in mammary gland duct elongation / epithelial cell development / prostate epithelial cord elongation / negative regulation of smooth muscle cell apoptotic process / mammary gland branching involved in pregnancy / uterus development / vagina development / TFIIB-class transcription factor binding / androgen metabolic process / steroid hormone receptor signaling pathway / mammary gland alveolus development / estrogen receptor signaling pathway / cellular response to estrogen stimulus / estrogen response element binding / : / nuclear receptor-mediated steroid hormone signaling pathway / negative regulation of canonical NF-kappaB signal transduction / Nuclear signaling by ERBB4 / RNA polymerase II preinitiation complex assembly / protein localization to chromatin / 14-3-3 protein binding / TBP-class protein binding / nitric-oxide synthase regulator activity / steroid binding / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / ESR-mediated signaling / transcription corepressor binding / negative regulation of miRNA transcription / positive regulation of nitric-oxide synthase activity / cellular response to estradiol stimulus / transcription coregulator binding / stem cell differentiation / nuclear estrogen receptor binding / SUMOylation of intracellular receptors / euchromatin / negative regulation of DNA-binding transcription factor activity / beta-catenin binding / transcription coactivator binding / positive regulation of DNA-binding transcription factor activity / Nuclear Receptor transcription pathway / response to estrogen / Regulation of RUNX2 expression and activity / Constitutive Signaling by Aberrant PI3K in Cancer / nuclear receptor activity / male gonad development / positive regulation of nitric oxide biosynthetic process / sequence-specific double-stranded DNA binding / positive regulation of fibroblast proliferation / Ovarian tumor domain proteases / PIP3 activates AKT signaling / response to estradiol / phospholipase C-activating G protein-coupled receptor signaling pathway / positive regulation of cytosolic calcium ion concentration / ATPase binding / regulation of inflammatory response / fibroblast proliferation / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / DNA-binding transcription activator activity, RNA polymerase II-specific / Estrogen-dependent gene expression / transcription regulator complex / Extra-nuclear estrogen signaling / calmodulin binding / DNA-binding transcription factor activity, RNA polymerase II-specific / chromatin remodeling / RNA polymerase II cis-regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of gene expression / chromatin binding / regulation of DNA-templated transcription / chromatin / regulation of transcription by RNA polymerase II / protein kinase binding / positive regulation of DNA-templated transcription / Golgi apparatus / enzyme binding / negative regulation of transcription by RNA polymerase II / signal transduction / positive regulation of transcription by RNA polymerase II / protein-containing complex / zinc ion binding / nucleoplasm / identical protein binding / membrane / nucleus / plasma membrane / cytoplasm / cytosol
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.61 Å

Authors

Min, C.K. / Nwachukwu, J.C. / Hou, Y. / Russo, R.J. / Papa, A. / Min, J. / Peng, R. / Kim, S.H. / Ziegler, Y. / Rangarajan, E.S. ...

Funding support

United States, 1items

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2024
Title: Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Authors: Min, C.K. / Nwachukwu, J.C. / Hou, Y. / Russo, R.J. / Papa, A. / Min, J. / Peng, R. / Kim, S.H. / Ziegler, Y. / Rangarajan, E.S. / Izard, T. / Katzenellenbogen, B.S. / Katzenellenbogen, J.A. / Nettles, K.W.

History

Deposition	Feb 9, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 12, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8vyt.cif.gz	551.9 KB	Display	PDBx/mmCIF format
PDB format	pdb8vyt.ent.gz		Display	PDB format
PDBx/mmJSON format	8vyt.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8vyt_validation.pdf.gz	1.8 MB	Display	wwPDB validaton report
Full document	8vyt_full_validation.pdf.gz	1.8 MB	Display
Data in XML	8vyt_validation.xml.gz	46.7 KB	Display
Data in CIF	8vyt_validation.cif.gz	63.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vy/8vyt ftp://data.pdbj.org/pub/pdb/validation_reports/vy/8vyt	HTTPS FTP

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Related structure data

Related structure data	8vyxC 8vz0C 8vz1C 8vzpC 8vzqC 8w03C 8w07C 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	#45 - Sep 2003 Estrogen Receptor similarity (12) #126 - Jun 2010 Epidermal Growth Factor similarity (1) #267 - Mar 2022 Vascular Endothelial Growth Factor (VegF similarity (1) #43 - Jul 2003 Src Tyrosine Kinase similarity (1) #60 - Dec 2004 Ubiquitin similarity (1)

Deposited unit

A: Estrogen receptor

B: Estrogen receptor

C: Estrogen receptor

D: Estrogen receptor

hetero molecules

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

1

A: Estrogen receptor

B: Estrogen receptor

hetero molecules

defined by author&software
56.3 kDa, 2 polymers

2

C: Estrogen receptor

D: Estrogen receptor

hetero molecules

defined by author&software
56.3 kDa, 2 polymers

Unit cell

Length a, b, c (Å)	53.394, 58.696, 93.356
Angle α, β, γ (deg.)	86.88, 74.94, 63.05
Int Tables number	1
Space group name H-M	P1

#1: Protein	Estrogen receptor / ER / ER-alpha / Estradiol receptor / Nuclear receptor subfamily 3 group A member 1 Mass: 27699.525 Da / Num. of mol.: 4 / Mutation: L372S, L536S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ESR1, ESR, NR3A1 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P03372
#2: Chemical	ChemComp-A1AHV / 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol Mass: 461.530 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₆H₂₃NO₅S / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 606 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.28 Å³/Da / Density % sol: 46.06 %
Crystal grow	Temperature: 298 K / Method: evaporation Details: 20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: RAYONIX MX300-HS / Detector: CCD / Date: Feb 12, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.61→37.55 Å / Num. obs: 77536 / % possible obs: 90.4 % / Redundancy: 7.1 % / CC_1/2: 0.998 / Net I/σ(I): 12
Reflection shell	Resolution: 1.93→5.234 Å / Num. unique obs: 66646 / CC_1/2: 0.998

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Processing

Software

Name	Version	Classification
PHENIX	1.18.2_3874	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.61→37.1 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.92 / Phase error: 26.51 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2118	3827	4.94 %
R_work	0.1796	-	-
obs	0.1812	77528	61.88 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.61→37.1 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7272	0	132	606	8010

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.02	7572
X-RAY DIFFRACTION	f_angle_d	2.043	10256
X-RAY DIFFRACTION	f_dihedral_angle_d	17.943	995
X-RAY DIFFRACTION	f_chiral_restr	0.219	1201
X-RAY DIFFRACTION	f_plane_restr	0.01	1255

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 (%)
1.61-1.63	0.2965	5	0.3274	96	X-RAY DIFFRACTION	2
1.63-1.65	0.3861	14	0.2797	206	X-RAY DIFFRACTION	5
1.66-1.68	0.345	11	0.3049	269	X-RAY DIFFRACTION	6
1.68-1.7	0.3746	18	0.2729	337	X-RAY DIFFRACTION	8
1.7-1.73	0.2842	21	0.2725	542	X-RAY DIFFRACTION	12
1.73-1.75	0.3048	32	0.2679	609	X-RAY DIFFRACTION	14
1.75-1.78	0.3315	52	0.2728	858	X-RAY DIFFRACTION	19
1.78-1.81	0.2504	61	0.2745	1150	X-RAY DIFFRACTION	26
1.81-1.85	0.2577	101	0.2507	1915	X-RAY DIFFRACTION	43
1.85-1.88	0.2977	111	0.2428	2388	X-RAY DIFFRACTION	54
1.88-1.92	0.2866	154	0.2334	2822	X-RAY DIFFRACTION	64
1.92-1.96	0.2477	170	0.221	3502	X-RAY DIFFRACTION	79
1.96-2.01	0.2433	191	0.2075	3796	X-RAY DIFFRACTION	87
2.01-2.06	0.2709	203	0.2039	3890	X-RAY DIFFRACTION	88
2.06-2.11	0.2439	169	0.1926	3659	X-RAY DIFFRACTION	82
2.11-2.18	0.2089	213	0.1743	4115	X-RAY DIFFRACTION	93
2.18-2.25	0.2153	221	0.172	3990	X-RAY DIFFRACTION	92
2.25-2.33	0.2007	223	0.1636	4003	X-RAY DIFFRACTION	91
2.33-2.42	0.1999	216	0.1661	3948	X-RAY DIFFRACTION	89
2.42-2.53	0.2171	194	0.1634	3761	X-RAY DIFFRACTION	85
2.53-2.66	0.2263	169	0.1707	3960	X-RAY DIFFRACTION	89
2.66-2.83	0.21	220	0.1771	4027	X-RAY DIFFRACTION	92
2.83-3.05	0.2004	187	0.1774	4002	X-RAY DIFFRACTION	91
3.05-3.35	0.1994	221	0.1689	3686	X-RAY DIFFRACTION	84
3.35-3.84	0.1846	238	0.1606	4145	X-RAY DIFFRACTION	94
3.84-4.84	0.187	219	0.1516	3919	X-RAY DIFFRACTION	89
4.84-37.1	0.2163	193	0.2083	4106	X-RAY DIFFRACTION	93

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	5.5597	-2.2505	0.0515	2.6676	-0.1169	1.2853	0.1315	0.2217	0.8197	0.0003	-0.2476	-0.585	-0.0753	0.1205	0.107	0.1257	-0.058	-0.0103	0.1712	0.0329	0.1747	41.6036	39.1683	12.176
2	4.5714	-4.2015	0.2771	3.6703	-0.6176	1.4032	-0.1243	0.089	0.1036	-0.1505	-0.0328	0.1196	-0.0701	0.0053	0.1147	0.1578	-0.064	-0.0445	0.1071	-0.0257	0.2412	34.6383	41.2068	4.7274
3	4.5332	-0.7112	-1.1351	2.2179	-0.07	3.729	0.0969	0.2956	0.0603	-0.1879	-0.1014	-0.1545	0.1308	0.2773	0.0019	0.11	0.0074	0.0169	0.0954	0.0178	0.1032	39.3971	29.9361	4.2607
4	2.6569	0.1579	-0.342	6.1242	-1.618	4.4598	-0.1129	-0.3098	0.3493	0.361	0.2721	0.72	-0.4982	-0.6173	-0.1255	0.2716	0.0479	0.0709	0.2104	-0.046	0.3527	24.4035	41.936	17.5237
5	8.1717	-1.5229	3.2985	5.6482	-1.0717	6.8343	-0.5657	-0.2002	0.1681	0.3151	0.3072	0.4428	-0.3184	-0.3794	0.1314	0.154	0.0138	0.1057	0.1764	-0.0427	0.1792	25.2344	32.0549	19.178
6	3.7032	-0.6871	-1.3313	3.4217	0.0515	4.7022	-0.0076	0.1815	-0.0348	-0.1768	-0.0335	-0.1118	0.2287	0.0581	0.0117	0.0993	-0.0009	0.0005	0.0539	0.0029	0.12	40.2702	24.3202	10.4168
7	2.5966	0.1621	-0.9771	3.2297	-0.7415	5.9634	0.0552	0.1397	-0.0775	-0.1914	-0.0047	-0.3199	0.3453	0.376	-0.0777	0.1124	0.0085	-0.0036	0.1616	-0.0122	0.2131	47.7204	18.3037	12.2762
8	6.4957	-2.9798	5.0813	5.1528	-3.6989	6.0138	-0.0542	-0.1723	0.0939	-0.1332	0.1186	0.1855	0.1421	-0.229	-0.0766	0.0965	-0.0259	0.0374	0.0774	-0.0323	0.1052	31.3957	23.4231	14.3225
9	7.3029	-0.2093	-1.3441	5.301	1.2065	7.558	0.4156	1.2222	1.0092	-0.6034	-0.2206	0.1975	-0.2811	-0.2177	-0.1463	0.3246	0.0422	-0.0105	0.2653	0.12	0.2415	36.0593	36.6022	-6.0125
10	4.0359	2.0203	1.3515	6.4418	0.7283	1.8596	0.0582	-0.5963	-0.503	0.2335	-0.0301	-0.2816	0.5218	-0.2338	0.1217	0.3085	-0.011	0.0174	0.2344	0.0782	0.123	28.4332	1.0693	26.7821
11	2.3793	-1.6251	-1.3808	4.902	-3.265	7.7433	-0.1916	0.5509	-0.3566	-0.2867	0.1672	0.6884	-0.3997	-0.1091	0.1281	0.2112	-0.0874	-0.0208	0.205	-0.0078	0.3651	16.6871	-2.1439	3.8297
12	5.7033	0.3075	2.8328	4.1846	1.0522	5.8933	0.0397	0.2928	0.1411	-0.1185	-0.1356	0.585	0.093	-0.0319	0.0001	0.1387	-0.0237	-0.0027	0.1126	0.0512	0.254	14.3112	4.6022	8.3067
13	2.9247	-1.413	-2.3968	2.0907	0.8972	7.0637	0.0772	-0.1382	0.1313	0.2188	0.0468	0.1852	-0.0417	-0.422	-0.1076	0.1011	-0.061	0.0229	0.1525	0.0067	0.1805	19.5379	11.4749	15.6917
14	6.0876	-0.2289	-2.4446	4.7422	0.7408	2.0755	-0.0965	1.1717	-0.119	-1.4541	0.263	0.2754	0.1761	-0.0115	-0.0847	0.4355	-0.1256	-0.0146	0.3895	-0.0235	0.1824	26.1429	2.6675	-4.9528
15	6.0382	-2.7278	2.6113	5.4221	-1.0064	4.8484	0.3567	0.8757	0.2544	-0.885	-0.3971	-0.1932	0.2292	0.584	0.0321	0.2879	-0.0054	0.0473	0.2145	0.0109	0.0926	32.4016	10.3383	-0.7916
16	4.2192	-0.4342	-1.7056	1.5066	-0.1916	5.0606	0.0486	-0.1916	0.2716	0.0694	0.1339	0.0699	-0.0708	-0.0933	-0.1284	0.1804	-0.0517	0.0096	0.0961	-0.0009	0.1347	28.5667	10.9128	16.6756
17	3.046	-1.966	-1.8588	5.3306	1.7277	4.168	-0.0198	-0.243	-0.1484	0.5683	-0.0702	0.1723	0.1222	-0.132	0.0814	0.2736	-0.0351	0.0176	0.1674	0.03	0.1156	33.4184	10.1616	25.2789
18	7.0743	-3.6202	5.4655	3.9555	-3.3303	6.1926	0.038	0.1937	0.0013	-0.1603	-0.002	0.1155	0.0952	0.1269	-0.0344	0.1193	-0.0341	0.0268	0.0719	-0.0126	0.1085	31.4941	15.6268	8.4603
19	3.4021	0.7634	0.2877	6.098	-0.3282	5.445	0.0441	0.1403	0.0143	-0.2747	-0.1821	0.6191	-0.1058	-0.607	-0.1698	0.2298	0.0497	0.0281	0.3389	-0.0576	0.4165	8.0662	14.3887	10.4323
20	3.3953	-0.471	0.5722	0.7199	0.169	1.7129	0.0345	0.2819	-0.6893	-0.154	-0.063	-0.509	0.1375	0.2667	0.0922	0.1399	0.1359	0.0655	0.2626	0.0213	0.2201	65.8503	11.0308	54.3883
21	5.8695	5.1963	0.017	4.6007	-0.6732	1.849	0.0594	-0.0925	-0.0049	0.2165	-0.111	0.0821	0.2328	0.0648	0.044	0.1476	0.078	0.0376	0.1243	-0.031	0.238	58.8368	8.8764	61.9068
22	3.9161	0.55	1.0718	2.6969	-0.4398	3.4637	-0.0274	-0.2426	-0.1622	0.1173	-0.1162	-0.1832	-0.1332	0.4066	0.116	0.1083	0.0002	-0.0056	0.154	0.0242	0.0999	63.5676	20.1654	62.3003
23	2.7856	-0.0001	1.5785	5.8164	-0.3809	3.0181	-0.0241	0.1576	-0.3189	-0.4574	0.2561	0.6213	0.4845	-0.2879	-0.1423	0.2713	-0.035	-0.0966	0.2041	-0.0212	0.2433	48.9995	12.229	48.3551
24	3.7844	1.0495	1.679	3.8666	-0.7039	2.9053	-0.0891	0.0107	0.0075	-0.0085	-0.0365	-0.0328	-0.0875	0.1977	0.1079	0.1034	0.0251	0.0281	0.1165	0.0099	0.0975	64.3756	24.988	54.7202
25	3.1153	-0.9724	-1.375	4.1098	-1.6399	6.9695	-0.029	-0.0772	0.2917	0.1361	-0.1688	-0.5715	-0.5895	0.8151	-0.049	0.0857	-0.0162	-0.0042	0.2802	0.0176	0.2916	71.8356	31.7319	54.619
26	6.1105	2.7041	-4.1588	6.5118	-4.2925	5.499	-0.0892	0.0978	-0.0898	0.0593	0.0462	0.069	-0.081	-0.0718	-0.0093	0.1085	0.0183	-0.0398	0.1005	-0.0327	0.0731	55.4685	26.667	52.3082
27	8.2721	1.0178	5.6354	5.1704	1.2668	6.504	0.1546	-0.9926	-0.6138	0.4489	-0.1352	0.0805	0.0088	-0.3832	-0.0318	0.2845	0.0062	0.0394	0.2762	0.0704	0.2022	60.6628	14.0075	72.5174
28	3.5472	-0.4525	-3.2212	1.6743	1.7174	7.9047	-0.0141	0.2605	0.2286	-0.2896	0.008	0.3053	-0.5745	-0.3473	-0.1108	0.2377	0.0271	-0.004	0.1403	0.0657	0.225	48.227	50.0535	48.1408
29	3.3799	0.0892	-2.4037	2.9986	2.1576	5.7484	0.0696	0.033	0.1739	0.04	-0.0528	0.5187	-0.1993	-0.2304	-0.0293	0.1686	0.0476	-0.0029	0.1493	0.0377	0.183	39.4624	44.378	54.0952
30	2.4595	-0.2187	0.513	3.3005	0.3877	4.0204	-0.0257	-0.3945	0.0567	0.4721	0.123	0.0394	-0.1661	-0.2413	-0.0797	0.1465	0.0599	0.0201	0.1725	0.0049	0.0873	46.9494	42.6632	62.3982
31	7.6093	2.6895	-2.861	4.9388	-1.6986	2.7312	0.3421	-0.7795	-0.4652	0.7614	-0.4734	-0.3862	-0.1649	0.4374	0.1251	0.2913	-0.0153	-0.0524	0.2334	-0.0008	0.0981	56.4541	39.7776	67.3582
32	3.8047	1.9542	2.7302	3.8639	2.4434	6.1589	-0.0041	0.1202	-0.0707	-0.0362	0.0914	-0.0441	-0.0112	-0.0991	-0.0453	0.1084	0.0261	0.016	0.1266	0.0192	0.0832	51.2939	37.7186	49.2876
33	3.4862	3.2049	2.1507	5.4473	1.9786	3.5287	-0.1747	0.3511	0.1073	-0.5397	0.1016	-0.0456	-0.1058	0.1873	0.0901	0.2253	-0.0225	-0.008	0.1498	0.0106	0.1074	55.5703	38.4766	40.583
34	8.8954	1.4971	-3.4511	3.3268	-1.1813	4.4479	0.0517	-0.0796	-0.0886	0.298	-0.0446	-0.1906	-0.1565	0.2118	0.0113	0.0945	0.0202	-0.0346	0.0747	-0.0151	0.0905	57.8021	35.0366	56.737
35	3.922	-0.5104	0.0936	4.0568	-1.1381	6.0246	-0.1207	-0.4391	-0.0211	0.0632	0.3546	0.6739	0.2209	-1.4041	-0.1841	0.1953	-0.0283	0.0225	0.383	0.0143	0.3684	32.6723	35.199	56.5912

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 305 through 338 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 339 through 363 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 364 through 394 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 395 through 420 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 421 through 437 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 438 through 465 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 466 through 496 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 497 through 527 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 528 through 546 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 306 through 321 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 322 through 341 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 342 through 363 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 364 through 394 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 395 through 421 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 422 through 437 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 438 through 469 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 470 through 496 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 497 through 527 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 528 through 546 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 306 through 338 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 339 through 363 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 364 through 394 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 395 through 437 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 438 through 465 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 466 through 496 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 497 through 527 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 528 through 546 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 305 through 341 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 342 through 371 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 372 through 421 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 422 through 437 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 438 through 465 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 466 through 496 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 497 through 524 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 525 through 545 )

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