PDB-2gl8: Human Retinoic acid receptor RXR-gamma ligand-binding domain

ID or keywords:

Entry

Database: PDB / ID: 2gl8

Title

Human Retinoic acid receptor RXR-gamma ligand-binding domain

Components

Retinoic acid receptor RXR-gamma

Keywords

Hormone/Growth factor receptor / nuclear receptor / Structural Genomics / Structural Genomics Consortium / SGC / Hormone-Growth factor receptor COMPLEX

Function / homology

Function and homology information

retinoic acid-responsive element binding / Signaling by Retinoic Acid / nuclear steroid receptor activity / retinoic acid receptor signaling pathway / response to retinoic acid / molecular condensate scaffold activity / Nuclear Receptor transcription pathway / RNA polymerase II transcription regulator complex / nuclear receptor activity / sequence-specific double-stranded DNA binding ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Min, J.R. / Schuetz, A. / Loppnau, P. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. / Plotnikov, A.N. / Structural Genomics Consortium (SGC)

Citation

Journal: To be Published
Title: The Crystal Structure of Human Retinoic acid receptor RXR-gamma ligand-binding domain.
Authors: Schuetz, A. / Min, J.R. / Loppnau, P. / Weigelt, J. / Sundstrom, M. / Edwards, A.M. / Arrowsmith, C.H. / Bochkarev, A. / Plotnikov, A.N.

History

Deposition	Apr 4, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 18, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Aug 30, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2gl8.cif.gz	163.3 KB	Display	PDBx/mmCIF format
PDB format	pdb2gl8.ent.gz	130.2 KB	Display	PDB format
PDBx/mmJSON format	2gl8.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	2gl8_validation.pdf.gz	463 KB	Display	wwPDB validaton report
Full document	2gl8_full_validation.pdf.gz	476.9 KB	Display
Data in XML	2gl8_validation.xml.gz	29.4 KB	Display
Data in CIF	2gl8_validation.cif.gz	40.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gl/2gl8 ftp://data.pdbj.org/pub/pdb/validation_reports/gl/2gl8	HTTPS FTP

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Related structure data

Related structure data	1rdtS S: Starting model for refinement
Similar structure data	6h0h-d 2q60-d 2xvh-1 2acl-5 1got-d 2y4l-d 3fal-d 1nw2-d 2jbv-d 4rk9-d 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	#155 - Nov 2012 Vitamin D Receptor similarity (4)

Deposited unit

A: Retinoic acid receptor RXR-gamma

B: Retinoic acid receptor RXR-gamma

C: Retinoic acid receptor RXR-gamma

D: Retinoic acid receptor RXR-gamma

108 kDa, 4 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)	48.070, 161.316, 68.682
Angle α, β, γ (deg.)	90.00, 109.50, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Retinoic acid receptor RXR-gamma / Retinoid X receptor gamma Mass: 26995.984 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: RXRG, NR2B3 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) Codon Plus RIL / References: UniProt: P48443
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 105 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Retinoic acid receptor RXR-gamma / Retinoid X receptor gamma

Mass: 26995.984 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: RXRG, NR2B3 / Plasmid: pET28a / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) Codon Plus RIL / References: UniProt: P48443

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 105 / 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: 2.32 Å³/Da / Density % sol: 47.03 %
Crystal grow	Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 6 Details: peg, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 20, 2006
Radiation	Monochromator: silicon / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.4→80.58 Å / Num. all: 37858 / Num. obs: 37858 / % possible obs: 99.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.4→2.49 Å / % possible all: 93.9

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
CrystalClear	(MSC/RIGAKU)	data reduction
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1RDT

1rdt

Resolution: 2.4→80.58 Å / Cor.coef. F_o:F_c: 0.935 / Cor.coef. F_o:F_c free: 0.912 / SU B: 20.822 / SU ML: 0.241 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.41 / ESU R Free: 0.293 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29574	1936	5.1 %	RANDOM
R_work	0.24266	-	-	-
all	0.24528	36107	-	-
obs	0.24528	36107	98.99 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 62.588 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.23 Å²	0 Å²	-1.11 Å²
2-	-	-1.27 Å²	0 Å²
3-	-	-	0.76 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→80.58 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5811	0	0	105	5916

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.022	5912
X-RAY DIFFRACTION	r_angle_refined_deg	1.475	1.983	7991
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.696	5	763
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.284	23.289	225
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.054	15	1023
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.87	15	41
X-RAY DIFFRACTION	r_chiral_restr	0.107	0.2	930
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	4340
X-RAY DIFFRACTION	r_nbd_refined	0.209	0.2	2690
X-RAY DIFFRACTION	r_nbtor_refined	0.299	0.2	3957
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.161	0.2	198
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.281	0.2	24
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.085	0.2	4
X-RAY DIFFRACTION	r_mcbond_it	0.577	1.5	3919
X-RAY DIFFRACTION	r_mcangle_it	1.016	2	6050
X-RAY DIFFRACTION	r_scbond_it	1.384	3	2228
X-RAY DIFFRACTION	r_scangle_it	2.218	4.5	1941

LS refinement shell

Resolution: 2.4→2.462 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.331	150	-
R_work	0.26	2470	-
obs	-	-	92.74 %

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	11.8556	-11.4799	-8.3603	11.6217	6.5542	10.5925	0.1913	0.0355	-0.3467	0.7833	-0.0696	-0.2162	-0.0344	0.1342	-0.1217	0.0934	-0.0818	-0.2008	0.1177	0.0643	0.1514	14.2041	1.9882	9.1767
2	7.9841	-0.9898	-5.0585	5.157	7.2942	12.0344	2.0172	0.4038	-1.0178	-1.6919	-1.9125	1.0096	-1.5793	-1.4091	-0.1047	0.5531	0.2154	-0.2693	0.4167	0.0088	0.0002	5.2178	18.7935	11.8109
3	6.5856	-2.1714	-2.09	3.1851	-3.4617	7.641	-0.2269	0.0465	0.1536	0.7333	-0.0546	-0.4147	-0.3217	0.2804	0.2815	0.0806	-0.0911	-0.1473	0.1107	0.033	0.1501	18.9799	11.6521	6.5955
4	17.9617	6.5336	1.043	4.5146	-0.7922	3.0149	-0.2497	0.2768	0.6468	0.085	0.0066	-0.052	-0.4487	-0.0826	0.2432	0.126	-0.0376	-0.144	0.047	0.0657	0.1608	12.7472	18.0381	-0.0322
5	11.4409	3.0562	-3.9026	9.5323	-3.4467	1.9944	-0.3389	0.0863	-0.2498	0.7214	0.8236	-0.6365	-0.3329	-0.5109	-0.4846	0.0834	0.0081	-0.056	0.1477	0.0804	0.0531	-1.6117	8.7855	5.1916
6	24.8449	-16.2617	8.3106	12.6096	-5.8903	14.285	-0.389	-0.5725	0.5362	0.9195	0.8807	0.3159	0.24	-0.5236	-0.4917	0.0014	0.0036	0.0841	0.221	0.1223	-0.0194	-10.3497	13.244	7.7494
7	5.367	-3.9533	0.6521	5.5789	-2.0088	2.2724	0.0919	-0.0382	-0.1613	-0.1342	0.383	0.1071	0.2628	-0.557	-0.4749	0.0096	-0.0836	-0.0368	0.187	0.1312	0.1218	-6.9654	7.8998	-0.9649
8	0.4923	-0.3192	1.5464	2.7641	-1.2858	4.8891	-0.1273	0.0029	-0.185	-0.0826	0.1025	-0.353	0.1559	0.0223	0.0248	0.041	-0.0284	-0.079	0.1194	0.0692	0.1655	11.2725	6.9782	-1.3034
9	5.9927	-5.9965	-2.1782	28.8184	-6.4593	6.0971	-0.1502	0.3447	0.4865	-0.3409	-0.2802	-1.4611	0.0372	0.6454	0.4304	-0.0221	-0.1025	-0.127	0.1389	0.0939	0.2285	21.955	12.4939	-7.3163
10	0.8977	-0.4229	1.0983	2.6474	-1.6424	1.9127	0.0764	-0.0264	-0.1462	0.009	0.1072	0.0056	0.2313	-0.0758	-0.1836	0.1357	-0.0285	-0.0866	0.0733	0.0692	0.1654	7.3083	-2.0041	-4.0018
11	25.3842	-6.5281	-0.729	31.5946	-6.226	1.3959	0.4016	0.6942	0.4629	-0.7076	0.926	0.0441	0.0628	-1.3976	-1.3275	0.0679	-0.0758	-0.0408	0.2932	0.0816	0.0848	-0.6109	18.527	-7.4139
12	0.2574	0.6224	0.1807	1.5049	0.437	0.1269	0.3922	0.7914	-1.1735	1.6742	0.117	0.5254	-0.6463	1.0144	-0.5092	0.5522	0.2944	0.1763	0.4986	-0.0131	0.1722	-7.0631	27.8902	3.985
13	3.2043	-3.459	3.3419	7.9536	-5.5281	8.4676	0.2221	0.2631	-0.2257	-0.7565	-0.145	-0.2574	0.8792	0.4991	-0.0771	0.3133	-0.0102	-0.0799	0.0559	-0.1139	-0.0415	2.2677	-2.2275	-31.2173
14	2.3709	0.6776	0.4352	3.0616	-1.0746	4.8883	0.4328	0.1589	-0.5142	-0.6143	-0.16	0.0833	0.4879	-0.327	-0.2728	0.2574	-0.0817	-0.2137	0.0592	-0.0506	0.0726	-7.1355	-0.4601	-28.8217
15	16.6721	6.2848	-3.9172	2.6593	-0.9585	1.8455	0.0504	0.1536	0.2269	-0.5209	0.0572	0.3286	-0.0811	-0.0573	-0.1076	0.1577	-0.0326	-0.1073	0.0933	0.0405	0.0495	-3.5261	8.9307	-24.1915
16	8.4564	5.6202	-6.4079	22.7798	-14.2165	10.0622	0.1334	0.6709	-0.2844	-0.6985	-0.4686	0.7425	0.9926	0.8138	0.3353	0.159	0.0663	0.025	0.2242	-0.0497	-0.0384	11.2175	9.3254	-28.9973
17	10.7917	-5.0777	-2.9561	18.7412	2.7317	9.5703	0.0588	0.6577	0.1148	-1.0937	-0.0417	-0.5237	-0.3167	0.8477	-0.0171	0.0221	-0.0923	0.1008	0.1999	0.1813	-0.0922	14.5308	18.267	-31.5368
18	14.989	-8.8303	4.4391	18.6899	-10.0062	12.6659	-0.2077	-0.4242	0.597	0.0838	0.1603	-0.8955	-0.6706	0.4122	0.0473	0.0906	-0.1912	0.0159	0.0908	0.0608	0.1051	11.885	21.1121	-21.9789
19	0.1603	1.2077	-0.2974	10.5477	0.8673	7.2321	-0.1222	0.4332	0.1401	-0.2925	-0.2558	-0.3137	0.1228	1.0807	0.378	0.0022	0.0281	0.0673	0.2528	0.1162	0.1454	16.3666	6.0027	-22.2156
20	5.3723	-2.8267	-1.5374	2.555	0.1818	2.8065	0.0633	-0.013	-0.1508	-0.207	0.264	0.2025	0.5071	-0.2473	-0.3273	0.1665	-0.1032	-0.1283	0.0712	0.0482	0.1076	-2.7682	-1.2082	-17.4933
21	31.7449	3.5237	-1.7579	4.4508	-2.5321	1.4426	0.9294	-0.0053	-1.1702	-0.4604	-0.2762	-0.5769	1.443	0.6228	-0.6532	0.38	0.2588	-0.1183	0.0629	-0.0795	0.2824	14.6206	-9.407	-18.6534
22	2.3982	-3.0118	0.9442	3.8306	-1.5363	2.9174	0.1409	0.2791	0.1217	-0.2696	-0.1772	-0.002	0.1478	0.2749	0.0363	0.0723	-0.0554	-0.051	0.129	0.0419	0.1216	10.6905	3.6307	-14.6141
23	10.0271	-2.8293	-9.3209	8.0702	-14.1336	47.3091	0.2439	-0.053	-0.2414	-0.6304	-0.032	0.4826	0.0093	-0.0143	-0.2119	0.1942	-0.0924	0.1029	-0.0053	0.0041	0.087	2.4961	18.5816	-17.751
24	1.5793	-5.098	8.4942	16.4563	-27.4192	45.6854	0.4229	-0.0194	0.4484	1.5002	1.1515	1.3218	-1.5912	-1.7952	-1.5744	0.8906	0.2143	0.4191	0.185	0.3716	-0.196	2.122	28.4733	-31.7363
25	10.9861	-3.1634	7.1981	7.994	-3.2842	4.9234	-0.0927	-0.399	0.4041	1.2365	-0.127	0.2521	-0.0004	-0.4858	0.2197	0.2307	0.0651	-0.0462	0.1062	-0.1898	0.0616	-9.3939	58.9305	2.8176
26	1.8197	-7.028	4.5151	28.6285	-15.0588	15.0147	-1.5909	-1.0578	1.5771	1.975	0.4033	-3.9081	0.1735	0.599	1.1875	0.4387	0.1338	-0.2921	0.1372	-0.1613	0.4396	-0.4252	45.1791	8.6501
27	4.4696	3.2296	0.1527	2.8034	-1.0432	5.5849	-0.26	-0.3939	0.0542	0.9892	0.3414	0.1975	0.1856	-0.5809	-0.0814	0.1572	-0.0206	0.1304	0.1046	-0.0319	0.0209	-15.0728	46.2368	4.3371
28	19.5762	11.9841	-1.9655	8.3302	0.4029	2.7934	0.2275	-0.3744	0.083	1.0355	-0.1093	-0.5451	0.5108	0.1362	-0.1182	0.1397	-0.0004	-0.0912	0.0452	-0.0347	0.1381	0.6064	45.5849	-2.8704
29	5.0623	-1.6467	0.4567	12.1798	3.0915	7.7338	0.2034	-0.3598	0.5063	0.6684	0.3385	-1.6661	0.5449	0.943	-0.5419	-0.0915	0.0297	-0.2658	0.1082	-0.0673	0.5182	13.3823	43.7278	-3.5251
30	2.6705	-1.4069	1.2094	7.4393	1.9176	3.2759	0.0674	0.2349	0.374	-0.3307	0.0247	-1.0131	-0.1214	0.2152	-0.092	-0.0337	-0.0391	0.0081	0.0424	-0.0135	0.2995	6.0444	48.8443	-11.2905
31	3.2148	-1.6908	1.0707	3.1245	2.4221	4.3437	-0.1202	-0.1779	-0.0173	0.2839	-0.0684	-0.0756	0.001	-0.316	0.1886	0.0476	-0.0298	-0.0051	0.1173	-0.0538	0.0781	-9.3859	51.0607	-4.9
32	12.6064	-18.8581	-1.232	42.8024	-3.0627	8.7768	-0.4603	-0.5738	-0.9922	0.1043	0.8887	3.3605	0.8436	-1.1248	-0.4284	-0.1425	-0.2615	0.0933	0.2909	-0.1031	0.3026	-21.9541	43.1249	-5.1424
33	5.1326	6.9991	-2.5702	11.8377	-0.4524	5.3493	-0.1089	0.1667	0.1734	-0.1886	0.0369	-0.0411	-0.386	-0.7152	0.072	0.037	0.1094	-0.0309	0.1035	-0.0874	0.1584	-14.0553	58.1277	-7.9176
34	5.353	2.3591	0.6164	12.4442	4.5267	1.6586	-0.267	0.1785	0.2967	-0.6371	0.2028	-0.0837	-0.3695	-0.0478	0.0643	0.2064	0.0061	-0.0378	-0.0017	0.0133	0.1762	-4.7724	63.241	-14.0148
35	1.5953	-0.1458	2.0732	10.5728	-0.3885	2.6978	0.1631	0.2227	-0.04	0.0478	-0.2389	-0.384	0.2344	-0.0236	0.0758	0.072	-0.0347	0.0078	0.1231	-0.0394	0.1122	-3.0731	42.8024	-12.7966
36	0.8269	-2.2349	2.1022	6.0408	-5.6821	5.3447	0.0948	-1.0416	0.0394	0.5165	0.0854	-0.1107	-0.2058	-0.7226	-0.1802	0.6295	-0.0766	-0.5272	0.0137	0.1346	0.2978	10.2565	29.4741	1.3889
37	1.6073	3.7705	-1.358	30.5629	1.9994	5.3975	0.1667	0.1345	-0.0617	-1.0371	-0.8545	0.4279	-0.3613	-0.3857	0.6878	0.303	0.2029	-0.1331	0.1843	0.0206	-0.1627	-13.7794	47.8818	-37.2702
38	8.9013	-6.2425	-4.9068	28.0903	-4.0679	5.0828	0.5414	0.2851	0.0277	-2.0695	-0.3515	0.3918	0.7379	-0.5491	-0.1899	0.4273	0.0424	-0.0832	0.0647	0.0139	-0.2035	-8.4155	41.1679	-38.3906
39	14.8144	-6.0637	2.8542	11.9154	-1.2821	1.9841	0.1087	0.8617	0.7284	-0.7492	-0.4595	-0.6751	-0.7696	0.3025	0.3508	0.3614	0.0029	0.15	0.0848	0.158	-0.1011	0.0811	48.692	-37.3322
40	11.81	1.5905	-3.7626	0.8259	-1.0549	3.4767	0.2931	0.1034	-0.2265	-0.5972	-0.3818	0.0315	0.468	-0.2175	0.0887	0.164	-0.0345	-0.0275	0.1219	-0.0663	0.0327	-9.6206	39.1271	-28.9575
41	14.9292	-12.083	2.0147	28.7379	-2.1172	23.1992	0.1966	0.3617	-0.1601	-0.2034	0.1923	0.1821	0.6416	-1.5442	-0.3889	-0.0576	-0.562	-0.2326	0.2432	-0.0713	0.0306	-24.6789	30.1561	-26.3935
42	7.0943	-8.5065	1.6565	43.541	-4.7584	2.9423	0.381	-0.74	-0.5748	-0.0221	-0.1302	1.1006	0.8939	-1.1075	-0.2508	0.0694	-0.3499	0.0206	0.2565	-0.0871	0.0983	-19.6469	32.5567	-17.967
43	2.0915	-2.7069	1.5761	7.1254	-0.9651	1.5066	-0.0161	-0.3273	-0.1096	-0.564	-0.2318	0.6951	-0.4806	-0.8425	0.2479	0.0189	0.0348	-0.1822	0.4362	-0.1888	0.1408	-23.3436	47.9959	-23.9189
44	13.5209	-2.5354	2.0599	3.7016	2.0033	2.0838	0.176	-0.3259	0.0109	-1.0422	-0.0389	-0.2982	-0.0912	-0.0859	-0.1371	0.1514	-0.0225	0.1137	0.0759	0.0335	0.0479	-4.2889	47.0996	-26.9059
45	15.8365	-4.0219	0.905	5.0804	1.7739	3.2194	-0.0537	0.1761	0.8882	-0.5412	-0.0922	-0.6725	-0.7221	-0.0995	0.1459	0.2452	0.0034	0.0841	-0.031	0.0805	0.0456	-4.223	55.9583	-26.8297
46	1.1924	1.9706	6.2559	13.6428	8.8648	33.0293	0.1924	-0.1177	0.8721	-1.6304	-1.2543	1.5418	-0.6246	-0.6198	1.0619	0.2085	0.3802	-0.1916	0.2046	-0.0985	0.1734	-22.1543	60.6229	-22.5531
47	0.7848	-0.379	1.0129	7.3732	3.1257	3.1246	-0.0252	0.0361	-0.1012	0.0644	-0.0004	0.312	0.2289	-0.5267	0.0257	0.0467	-0.0586	-0.0285	0.1702	-0.0144	0.1155	-12.1064	44.0451	-18.3638
48	1.2418	-3.0596	-0.1171	87.6378	35.3508	15.359	0.5498	0.4177	0.565	-2.6906	-0.7388	-1.5118	-0.8931	-0.0165	0.1889	0.6555	-0.1516	-0.0969	-0.0625	-0.256	0.008	-12.3217	14.5029	-29.9647

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	11 - 24	11 - 24
2	X-RAY DIFFRACTION	2	A	A	25 - 58	25 - 58
3	X-RAY DIFFRACTION	3	A	A	59 - 73	59 - 73
4	X-RAY DIFFRACTION	4	A	A	74 - 88	74 - 88
5	X-RAY DIFFRACTION	5	A	A	89 - 97	89 - 97
6	X-RAY DIFFRACTION	6	A	A	98 - 116	98 - 116
7	X-RAY DIFFRACTION	7	A	A	117 - 143	117 - 143
8	X-RAY DIFFRACTION	8	A	A	144 - 158	144 - 158
9	X-RAY DIFFRACTION	9	A	A	159 - 171	159 - 171
10	X-RAY DIFFRACTION	10	A	A	172 - 207	172 - 207
11	X-RAY DIFFRACTION	11	A	A	208 - 211	208 - 211
12	X-RAY DIFFRACTION	12	A	A	212 - 224	212 - 224
13	X-RAY DIFFRACTION	13	B	B	11 - 55	11 - 55
14	X-RAY DIFFRACTION	14	B	B	56 - 75	56 - 75
15	X-RAY DIFFRACTION	15	B	B	76 - 91	76 - 91
16	X-RAY DIFFRACTION	16	B	B	92 - 96	92 - 96
17	X-RAY DIFFRACTION	17	B	B	97 - 118	97 - 118
18	X-RAY DIFFRACTION	18	B	B	119 - 129	119 - 129
19	X-RAY DIFFRACTION	19	B	B	130 - 143	130 - 143
20	X-RAY DIFFRACTION	20	B	B	144 - 178	144 - 178
21	X-RAY DIFFRACTION	21	B	B	179 - 189	179 - 189
22	X-RAY DIFFRACTION	22	B	B	190 - 207	190 - 207
23	X-RAY DIFFRACTION	23	B	B	208 - 211	208 - 211
24	X-RAY DIFFRACTION	24	B	B	212 - 226	212 - 226
25	X-RAY DIFFRACTION	25	C	C	11 - 23	11 - 23
26	X-RAY DIFFRACTION	26	C	C	24 - 59	24 - 59
27	X-RAY DIFFRACTION	27	C	C	60 - 83	60 - 83
28	X-RAY DIFFRACTION	28	C	C	84 - 96	84 - 96
29	X-RAY DIFFRACTION	29	C	C	97 - 120	97 - 120
30	X-RAY DIFFRACTION	30	C	C	121 - 143	121 - 143
31	X-RAY DIFFRACTION	31	C	C	144 - 157	144 - 157
32	X-RAY DIFFRACTION	32	C	C	158 - 169	158 - 169
33	X-RAY DIFFRACTION	33	C	C	170 - 183	170 - 183
34	X-RAY DIFFRACTION	34	C	C	184 - 198	184 - 198
35	X-RAY DIFFRACTION	35	C	C	199 - 211	199 - 211
36	X-RAY DIFFRACTION	36	C	C	212 - 227	212 - 227
37	X-RAY DIFFRACTION	37	D	D	11 - 53	11 - 53
38	X-RAY DIFFRACTION	38	D	D	54 - 63	54 - 63
39	X-RAY DIFFRACTION	39	D	D	64 - 75	64 - 75
40	X-RAY DIFFRACTION	40	D	D	76 - 97	76 - 97
41	X-RAY DIFFRACTION	41	D	D	98 - 117	98 - 117
42	X-RAY DIFFRACTION	42	D	D	118 - 134	118 - 134
43	X-RAY DIFFRACTION	43	D	D	135 - 144	135 - 144
44	X-RAY DIFFRACTION	44	D	D	145 - 163	145 - 163
45	X-RAY DIFFRACTION	45	D	D	164 - 182	164 - 182
46	X-RAY DIFFRACTION	46	D	D	183 - 192	183 - 192
47	X-RAY DIFFRACTION	47	D	D	193 - 212	193 - 212
48	X-RAY DIFFRACTION	48	D	D	213 - 228	213 - 228

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