PDB-2fw2: Catalytic domain of CDY

ID or keywords:

Entry

Database: PDB / ID: 2fw2

Title

Catalytic domain of CDY

Components

Testis-specific chromodomain protein Y 2

Keywords

GENE REGULATION / chromodomain / chromosome Y / Structural Genomics / Structural Genomics Consortium / SGC

Function / homology

Function and homology information

histone H4K16 acetyltransferase activity / histone H3K56 acetyltransferase activity / histone H3K23 acetyltransferase activity / histone H2AK5 acetyltransferase activity / histone H2AK9 acetyltransferase activity / histone H2BK5 acetyltransferase activity / histone H2BK12 acetyltransferase activity / histone H3K4 acetyltransferase activity / histone H3K27 acetyltransferase activity / histone H3K36 acetyltransferase activity ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Min, J.R. / Antoshenko, T. / Wu, H. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C. / Edwards, A.M. / Bochkarev, A. / Plotnikov, A.N. / Structural Genomics Consortium (SGC)

Citation

Journal: To be Published
Title: The Crystal Structure of catalytic domain of Human Testis-specific chromodomain protein Y.
Authors: Min, J.R. / Antoshenko, T. / Wu, H. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C. / Edwards, A.M. / Bochkarev, A. / Plotnikov, A.N.

History

Deposition	Jan 31, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 14, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Derived calculations / Version format compliance
Revision 1.3	Oct 18, 2017	Group: Refinement description / Category: software / Item: _software.name
Revision 1.4	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 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2fw2.cif.gz	312.5 KB	Display	PDBx/mmCIF format
PDB format	pdb2fw2.ent.gz	257.8 KB	Display	PDB format
PDBx/mmJSON format	2fw2.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fw/2fw2 ftp://data.pdbj.org/pub/pdb/validation_reports/fw/2fw2	HTTPS FTP

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Related structure data

Related structure data	2fmbS S: Starting model for refinement
Similar structure data	1hno-1 1hnu-1 2i5i-1 2zqq-d 1ef8-2 3h0u-2 1i33-2 3qll-2 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	#122 - Feb 2010 Enhanceosome similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1)

Deposited unit

A: Testis-specific chromodomain protein Y 2

B: Testis-specific chromodomain protein Y 2

C: Testis-specific chromodomain protein Y 2

D: Testis-specific chromodomain protein Y 2

E: Testis-specific chromodomain protein Y 2

F: Testis-specific chromodomain protein Y 2

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

1

Idetical with deposited unit
defined by author

2

D: Testis-specific chromodomain protein Y 2

E: Testis-specific chromodomain protein Y 2

F: Testis-specific chromodomain protein Y 2

defined by software
86.6 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

A: Testis-specific chromodomain protein Y 2

B: Testis-specific chromodomain protein Y 2

C: Testis-specific chromodomain protein Y 2

defined by software
86.6 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	80.454, 133.579, 82.328
Angle α, β, γ (deg.)	90.00, 117.56, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Testis-specific chromodomain protein Y 2 Mass: 28881.336 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CDY2A, CDY2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) codon plus RIL / References: UniProt: Q9Y6F7
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 664 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 2.26 Å³/Da / Density % sol: 45.64 %
Crystal grow	Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 10% PEG4000, 0.1M NaAc pH4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.54 Å
Detector	Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jan 29, 2006
Radiation	Monochromator: varymax / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.54 Å / Relative weight: 1
Reflection	Resolution: 2.2→72.93 Å / Num. all: 73770 / Num. obs: 73770 / % possible obs: 99.44 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.2→2.28 Å / % possible all: 98.6

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB Entry:2FMB

2fmb

Resolution: 2.2→72.93 Å / Cor.coef. F_o:F_c: 0.953 / Cor.coef. F_o:F_c free: 0.915 / SU B: 13.703 / SU ML: 0.179 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.306 / ESU R Free: 0.235 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25285	3916	5 %	RANDOM
R_work	0.18484	-	-	-
all	0.18833	73770	-	-
obs	0.18833	73770	99.44 %	-

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: 30.574 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.06 Å²	0 Å²	0.12 Å²
2-	-	0.28 Å²	0 Å²
3-	-	-	-0.11 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→72.93 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11950	0	0	664	12614

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	12163
X-RAY DIFFRACTION	r_angle_refined_deg	1.406	1.96	16426
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.892	5	1545
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.337	25.01	511
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.264	15	2229
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.076	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.102	0.2	1919
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	8911
X-RAY DIFFRACTION	r_nbd_refined	0.204	0.2	6038
X-RAY DIFFRACTION	r_nbtor_refined	0.297	0.2	8415
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.141	0.2	726
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.184	0.2	58
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.19	0.2	16
X-RAY DIFFRACTION	r_mcbond_it	0.551	1.5	7943
X-RAY DIFFRACTION	r_mcangle_it	0.886	2	12396
X-RAY DIFFRACTION	r_scbond_it	1.586	3	4800
X-RAY DIFFRACTION	r_scangle_it	2.484	4.5	4030

LS refinement shell

Resolution: 2.2→2.257 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.348	269	-
R_work	0.244	5382	-
obs	-	-	98.11 %

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	1.4779	-0.5293	0.5095	6.5704	-0.9221	1.5382	-0.1265	-0.0827	0.0126	0.2337	0.0799	0.3051	0.0175	-0.2724	0.0466	-0.0093	-0.0099	0.0086	0.1196	0.0015	0.0207	-9.0377	-8.5638	13.1814
2	0.8762	-0.3475	0.0037	2.1952	-0.15	1.0037	0.0225	-0.0348	-0.0592	-0.0803	0.0025	0.1597	0.0335	-0.2562	-0.025	0.0195	-0.0111	0.001	0.0913	0.0037	0.0115	-2.5828	-11.6165	9.5583
3	11.1993	9.841	-1.9787	15.9987	-1.2218	26.9949	0.2646	-0.2509	-0.6394	-0.3404	-0.2894	0.0488	1.5933	-1.0832	0.0249	0.0668	-0.0966	0.0038	-0.0424	0.0201	0.0361	4.0083	-31.9321	0.9563
4	0.5396	-0.2732	-0.0343	1.19	0.3433	0.8602	-0.0173	-0.017	-0.0532	-0.0361	0.013	0.0239	0.0254	-0.0514	0.0043	0.0145	-0.0045	0.0083	0.0659	0.0061	0.0416	7.2192	-11.1018	11.0167
5	3.7076	0.2422	0.0186	7.793	-0.8571	3.0272	0.0157	0.0139	-0.1302	0.2496	0.0661	-0.1633	-0.0434	0.1162	-0.0818	-0.0111	0.0324	-0.0157	0.0965	-0.013	0.0242	20.7282	-11.6502	16.3371
6	2.9501	-1.5556	1.0418	7.5819	-3.3862	2.5869	-0.0783	-0.0166	0.0963	0.3084	0.1182	-0.1569	0.0163	0.0982	-0.0399	0.0168	0.0207	-0.0052	0.0536	-0.0175	0.0052	13.3899	-6.6684	24.1444
7	0.9151	-0.2013	0.049	1.5509	-0.7465	2.1959	-0.0663	-0.0824	0.0589	0.031	0.0862	0.1152	-0.021	-0.0773	-0.0199	0.0192	0.0012	-0.0031	0.0523	-0.0278	0.0159	0.2993	5.6169	18.5461
8	3.9512	0.4974	-0.6529	14.0315	2.195	3.1719	0.184	0.092	0.4067	-0.0124	-0.127	-0.3039	-0.4181	0.0614	-0.057	0.036	-0.0208	0.0207	0.0568	0.0204	0.0171	14.4243	-5.3557	0.6403
9	2.8066	-1.1072	-2.6158	2.2388	1.7078	5.5491	-0.1819	0.0384	-0.326	0.0407	0.051	-0.0611	0.5231	0.1125	0.1309	0.03	-0.0017	-0.0334	0.0005	-0.0104	0.0813	12.3291	-28.4032	5.7129
10	19.4649	-31.9953	-11.519	52.687	17.479	29.1689	-0.2303	-0.2782	-0.9036	0.9063	-0.0658	-1.4138	0.6351	-0.4719	0.2961	0.1636	-0.113	-0.0366	-0.1531	0.1587	0.1816	5.82	-26.358	22.2592
11	5.1869	2.7903	-0.0359	4.9297	0.3035	1.9947	0.0177	-0.1141	-0.5679	0.3384	0.0196	-0.6346	0.3981	0.3816	-0.0373	0.0189	0.1521	-0.0419	-0.0229	0.0126	0.1307	45.3651	-23.7931	17.8699
12	8.5793	0.3059	2.2485	6.2404	2.3086	1.3864	0.0735	0.2596	-0.5054	-0.1022	-0.1766	-0.3215	0.0625	0.0709	0.1031	-0.0465	0.077	-0.0077	0.0925	0.0232	0.0741	50.2355	-14.0985	14.7184
13	1.1625	0.8544	-0.1607	0.7866	0.1448	0.6883	-0.0203	0.021	-0.3299	0.0256	0.0642	-0.2265	0.1978	0.1452	-0.0439	-0.0012	0.0559	-0.0274	0.0407	0.0002	0.1356	45.1869	-15.1882	14.699
14	7.636	3.9857	0.3192	2.7335	0.1891	0.8947	-0.1756	0.3955	-0.1326	-0.0957	0.1619	-0.0667	0.011	0.1223	0.0138	-0.0151	0.0567	-0.0026	0.0567	-0.0184	0.0574	48.0456	-7.2383	5.5488
15	0.5326	0.6307	0.2118	1.7494	0.3555	0.1048	0.0068	-0.0777	-0.0855	0.0523	-0.0293	-0.0352	0.1185	0.0886	0.0225	0.0021	0.0122	-0.0071	0.0554	0.0255	0.0551	37.4929	-8.3501	20.605
16	1.0858	0.2783	0.3112	1.4843	1.9342	3.5186	0.0452	-0.056	-0.0858	0.0069	-0.0924	0.0773	0.0304	-0.1446	0.0471	0.0148	0.0198	-0.014	0.0173	0.0155	0.0543	33.7623	2.6453	15.3666
17	4.3904	2.381	1.3404	4.9876	1.3761	0.5233	0.1559	-0.176	0.1761	0.1112	-0.1313	0.3721	-0.057	-0.2136	-0.0246	-0.0153	0.0026	0.0254	0.0702	0.0164	0.0369	30.5427	-3.6442	26.0134
18	3.2775	1.2812	1.8183	2.7411	1.143	3.5202	0.1598	-0.3593	-0.2002	0.3572	-0.1927	-0.0329	0.2437	-0.0602	0.0329	0.0179	0.0117	-0.0013	-0.0121	0.031	0.0282	27.6222	-22.937	22.612
19	10.1887	-8.4127	3.5468	6.9498	-3.0328	4.2447	0.0709	-0.051	0.2666	-0.0363	-0.1211	-0.0669	-0.1376	0.3203	0.0503	-0.0046	0.0006	-0.0023	0.0661	-0.0224	0.024	24.5031	-15.575	6.0187
20	4.5425	0.6774	0.6139	1.326	0.1896	2.0982	-0.0457	0.0983	0.1022	-0.121	0.0506	-0.0159	-0.1133	0.138	-0.0049	0.0105	0.0418	0.0105	0.0791	0.0017	0.0717	45.5203	1.4839	8.5784
21	12.4998	-3.3109	0.6461	2.4051	-0.9789	1.3008	-0.1268	-0.2909	0.8949	0.0608	-0.0039	-0.2728	-0.2284	0.1047	0.1307	0.0403	-0.0266	-0.0459	-0.0252	-0.0476	0.0902	29.3622	31.4775	19.5827
22	1.6205	-0.827	-0.1268	0.8187	-0.1614	0.3695	0.0999	-0.002	0.4332	0.0204	-0.1128	-0.1106	-0.1553	0.1119	0.0129	0.0202	0.0016	-0.0202	0.0004	0.0098	0.0592	25.0378	27.6249	14.6781
23	9.536	-4.228	2.463	2.4249	-1.3044	2.3755	0.0748	0.1439	0.4122	-0.0608	-0.0878	-0.0276	-0.1823	-0.093	0.013	0.0645	-0.0151	0.0223	-0.0172	0.0335	0.0639	16.6707	26.8728	4.4578
24	3.4431	-0.0228	0.4514	0.5644	-0.3465	0.2682	-0.0014	-0.0494	0.1148	0.0939	-0.0256	-0.0446	-0.0499	0.0148	0.0271	0.0453	0.0178	-0.0024	0.0313	-0.0193	0.0083	20.6818	17.2371	20.3332
25	2.7563	0.6505	-0.7062	2.1995	-1.0047	1.5364	0.0843	-0.1315	-0.1988	-0.0883	-0.0957	-0.0138	0.1069	0.1175	0.0114	0.0532	0.0226	0.008	0.033	-0.0002	0.0331	15.0583	8.233	13.2572
26	6.4236	0.2495	6.13	0.5875	-1.5834	11.5918	0.4798	-0.251	-0.1414	0.204	-0.2786	0.2893	0.5584	-0.0278	-0.2012	0.0235	0.034	-0.0076	0.0369	-0.0222	0.0436	10.9975	11.0043	23.2904
27	2.7262	0.1273	-0.2949	0.4054	0.0948	0.8504	0.0174	-0.3705	0.067	0.1482	-0.0472	-0.0771	-0.0596	-0.0154	0.0298	0.0486	0.0257	-0.0445	0.0453	0.0286	0.0159	33.3809	13.9714	26.248
28	15.3782	-1.5701	-4.2386	8.7016	2.217	4.3416	0.0104	0.2808	0.3016	-0.0758	-0.1268	0.4237	-0.4726	0.0403	0.1164	0.0199	0.0024	-0.0221	0.0394	0.0338	0.0419	37.0489	10.0804	8.7735
29	4.1439	-0.3291	0.1225	1.5313	-0.26	1.4261	0.1086	0.3592	0.1067	-0.169	-0.0902	0.023	0.0661	-0.1268	-0.0184	0.0602	-0.0133	-0.008	0.0276	0.0153	0.0255	12.0317	18.2033	4.609
30	75.9862	-26.1626	-14.2914	48.6734	48.07	49.6271	-0.1848	-2.016	1.3524	1.0248	-0.2392	1.3169	1.1273	0.3257	0.424	-0.0136	-0.0719	0.0348	-0.0286	-0.0654	0.1407	1.592	29.4247	19.5608
31	5.0664	1.789	-3.4893	11.86	-5.7211	4.1978	-0.4512	-0.3108	0.1216	0.1279	0.4044	1.2639	-0.1113	-0.5303	0.0468	-0.1444	0.0728	0.0096	0.2343	0.0379	0.1063	-8.0882	19.0269	-25.7145
32	3.5258	2.2545	1.2288	6.0678	0.4363	2.8688	-0.1267	-0.0168	0.3145	0.1428	-0.0236	0.3871	-0.2579	-0.4191	0.1503	-0.024	0.0627	0.0057	0.078	-0.0091	0.0041	-0.7979	21.9441	-25.8188
33	13.4432	13.8211	-1.5745	38.5475	-3.0381	5.1153	-0.0347	0.1356	0.3129	0.1005	-0.331	-0.0292	0.275	-0.6906	0.3657	-0.0113	0.0235	0.019	0.0431	0.0302	-0.0721	-3.7434	14.586	-17.2874
34	1.8063	2.9552	1.8937	5.985	3.3449	2.0382	0.1702	-0.2988	0.3156	0.1375	-0.4959	0.6533	-0.0434	-0.4652	0.3257	0.0578	-0.0021	0.0248	0.1078	-0.0179	0.0471	4.1704	22.1373	-24.7604
35	0.2815	0.3089	0.1372	4.9305	0.5049	1.9118	0.0426	0.0021	0.084	0.0483	-0.0578	-0.006	0.0224	-0.1745	0.0152	0.0251	0.0457	0.0391	0.0613	0.028	0.0582	7.973	22.9827	-13.1625
36	2.8426	1.4331	0.3353	2.2397	0.8877	1.0562	0.0847	0.0569	0.0348	-0.0037	-0.001	0.1216	-0.0341	-0.1152	-0.0837	0.0557	-0.0039	-0.0087	-0.0073	0.0299	0.0095	10.1543	13.8826	-30.394
37	1.7253	-0.7204	-0.3956	1.9163	-0.1858	1.1113	-0.047	0.0096	-0.0212	-0.1434	0.1056	-0.1561	-0.018	0.1394	-0.0586	0.0634	-0.0321	0.0229	0.0134	-0.0001	-0.003	22.3186	16.7921	-23.1507
38	5.1408	1.1817	1.1039	1.6666	0.7747	1.1473	0.1216	-0.0297	-0.0075	-0.1211	-0.0379	-0.0359	-0.0489	0.0272	-0.0836	0.0666	0.0146	0.012	0.0314	0.0208	-0.0052	9.7744	8.903	-37.1865
39	3.4184	2.7684	0.5661	4.0728	-0.8694	1.0569	-0.0795	0.1466	0.1084	0.153	0.284	0.4039	0.2305	-0.0824	-0.2045	0.0485	0.0772	0.0196	0.0319	0.0291	0.0185	0.6332	-2.9953	-22.7027
40	2.2419	0.8143	-0.6293	6.3023	-0.619	2.5864	-0.062	-0.0629	0.0588	-0.1675	-0.0277	-0.0923	-0.0801	0.0886	0.0897	0.0228	0.0277	-0.0003	0.0654	-0.0185	0.0636	17.4908	23.9621	-16.3552
41	18.3092	-13.8365	0.6275	16.3585	-1.191	5.1806	0.0986	0.807	0.9872	0.9235	-0.4618	-1.0935	-0.8133	0.9263	0.3632	0.0566	-0.3485	0.0473	0.044	-0.0609	-0.0386	50.5668	23.1558	-22.4371
42	4.5571	-1.2452	-0.6026	4.1977	0.2433	2.1936	0.2955	-0.4204	0.1954	0.2681	-0.2263	-0.4387	-0.3474	0.5662	-0.0692	0.032	-0.2539	-0.013	0.1716	0.0078	-0.0604	49.466	16.0477	-20.1612
43	4.1669	-1.5948	1.6566	3.6491	-3.9752	4.3324	-0.0908	-0.2998	0.0091	-0.0668	-0.2628	-0.6976	0.1026	0.4623	0.3537	-0.0026	-0.0957	-0.0082	0.1662	0.0561	0.0541	50.8598	6.6466	-25.7679
44	14.7549	-8.5072	0.1008	6.8845	-0.2731	4.1201	0.2262	-1.3258	-0.4629	0.026	-0.1285	-1.0089	0.011	1.2111	-0.0976	-0.1607	-0.1264	-0.0658	0.3199	0.1953	0.1005	54.9734	-1.7911	-10.8022
45	0.7986	0.053	-0.4444	1.6977	-0.1064	2.4382	0.1273	-0.1145	0.0535	0.0121	-0.1208	-0.0941	-0.2901	0.2813	-0.0065	0.0339	-0.0774	0.0135	0.0749	-0.0101	-0.0192	40.121	9.2955	-24.6489
46	2.5057	-0.0568	-1.5363	4.1209	0.719	4.7643	-0.0052	-0.0336	-0.119	-0.0068	-0.1964	0.118	-0.0016	0.1276	0.2016	0.0007	-0.0547	0.0154	0.0275	0.0173	0.0116	36.0438	-4.0935	-22.6377
47	3.5847	-1.2503	-0.6978	3.7482	0.2486	4.9298	0.2371	-0.0065	-0.0212	-0.2438	-0.1629	0.1125	-0.2208	0.1221	-0.0742	0.0655	-0.0329	0.0191	0.0405	0.0031	-0.0316	35.0731	6.8797	-35.5494
48	3.5425	-1.3321	-1.6486	2.8068	1.26	0.9448	0.1197	0.1896	0.3271	-0.5995	0.0796	-0.0622	-0.3242	-0.1946	-0.1992	0.0907	-0.058	0.0208	-0.0699	0.0097	0.0148	33.0631	23.6765	-25.6649
49	11.7236	-8.5436	-0.5068	13.0988	1.3228	1.9795	0.0307	-0.4248	-0.3893	0.3152	-0.0945	0.6766	-0.1776	0.0195	0.0638	0.0462	-0.102	0.0343	0.0916	0.0245	-0.0652	34.5093	3.3402	-10.1669
50	1.676	1.24	0.8851	7.1918	-3.2456	8.2679	0.1211	0.0496	-0.5821	-0.1307	-0.6054	-1.2083	0.8808	0.7485	0.4843	-0.2191	0.0617	0.0134	0.1891	0.1851	0.1516	52.4493	-8.9046	-19.8519
51	6.8885	0.0802	1.6551	3.5931	-1.9263	4.1376	-0.0897	0.1822	-1.0525	-0.4057	-0.0343	-0.2118	0.7221	0.1447	0.1239	0.1593	0.0496	0.1376	-0.1522	-0.0787	0.0908	23.6097	-30.5601	-27.2958
52	4.3405	0.5521	0.5507	1.2617	-0.3438	1.7717	-0.1035	0.0856	-0.4685	-0.1739	0.1033	-0.1111	0.3028	0.1567	0.0002	0.1165	-0.024	0.0725	-0.0596	-0.0338	0.0352	19.8461	-25.3653	-23.7118
53	13.1334	4.3027	1.061	2.5757	0.7918	2.619	0.04	-0.5577	-0.6454	-0.1654	0.1074	0.2923	0.2707	-0.57	-0.1475	0.0371	-0.035	-0.023	-0.0032	0.1103	0.0287	4.8037	-23.3663	-15.745
54	1.8909	-0.0678	0.0668	1.3001	-0.7102	1.0367	-0.1637	0.058	-0.0764	-0.1691	0.1082	-0.0398	0.0351	0.0233	0.0554	0.0616	-0.0465	-0.002	0.039	-0.0103	-0.0098	18.6727	-13.6107	-26.2184
55	9.9646	-0.8328	7.8715	3.2413	-1.4224	8.299	-0.6877	0.1642	0.3696	-0.1176	0.281	0.0362	-0.5528	0.2046	0.4067	0.0361	-0.0098	-0.0169	-0.0389	0.0416	0.0293	12.7253	-1.3444	-26.7381
56	4.1859	-1.9457	-2.0213	5.9236	0.0609	3.104	-0.0033	0.3323	0.3171	-0.5044	0.1171	-0.2739	0.0452	0.0003	-0.1138	0.062	-0.0747	-0.0008	0.075	0.0258	-0.0566	22.5383	-8.9547	-36.9336
57	3.2417	1.1341	0.9855	3.4395	2.4455	2.975	-0.0546	0.2947	-0.5242	0.0419	-0.0454	-0.2701	0.3108	0.4069	0.0999	0.0234	0.0336	0.1058	-0.0379	0.0119	0.02	37.564	-16.9783	-26.7781
58	35.2272	24.5862	-13.7425	17.1595	-9.5913	5.3611	0.1123	-0.5901	-0.2231	0.1751	-0.4775	-0.6867	-0.2046	-0.091	0.3653	0.2231	-0.1311	-0.001	0.0405	-0.0946	0.0925	28.1681	-7.7113	-12.8289
59	6.7046	0.9281	1.4594	1.7682	0.4136	2.9951	-0.2302	-0.5255	0.0267	-0.0738	0.1627	0.2865	-0.144	-0.3389	0.0675	0.0692	0.0203	0.0014	0.004	0.0519	0.0393	4.9188	-13.5829	-16.5899
60	10.6783	-8.7043	0.8233	7.834	4.4954	36.1951	0.4905	0.5147	0.9327	0.1209	-0.1227	-1.0295	1.035	-1.2877	-0.3678	0.0528	-0.056	-0.0745	0.0285	0.0795	0.0166	-2.6527	-20.9533	-37.8132

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	3 - 26	3 - 26
2	X-RAY DIFFRACTION	2	A	A	27 - 71	27 - 71
3	X-RAY DIFFRACTION	3	A	A	72 - 79	72 - 79
4	X-RAY DIFFRACTION	4	A	A	80 - 151	80 - 151
5	X-RAY DIFFRACTION	5	A	A	152 - 169	152 - 169
6	X-RAY DIFFRACTION	6	A	A	170 - 183	170 - 183
7	X-RAY DIFFRACTION	7	A	A	184 - 217	184 - 217
8	X-RAY DIFFRACTION	8	A	A	218 - 233	218 - 233
9	X-RAY DIFFRACTION	9	A	A	234 - 254	234 - 254
10	X-RAY DIFFRACTION	10	A	A	255 - 260	255 - 260
11	X-RAY DIFFRACTION	11	B	B	1 - 25	1 - 25
12	X-RAY DIFFRACTION	12	B	B	26 - 37	26 - 37
13	X-RAY DIFFRACTION	13	B	B	38 - 74	38 - 74
14	X-RAY DIFFRACTION	14	B	B	75 - 100	75 - 100
15	X-RAY DIFFRACTION	15	B	B	101 - 142	101 - 142
16	X-RAY DIFFRACTION	16	B	B	143 - 168	143 - 168
17	X-RAY DIFFRACTION	17	B	B	169 - 183	169 - 183
18	X-RAY DIFFRACTION	18	B	B	184 - 211	184 - 211
19	X-RAY DIFFRACTION	19	B	B	212 - 218	212 - 218
20	X-RAY DIFFRACTION	20	B	B	219 - 255	219 - 255
21	X-RAY DIFFRACTION	21	C	C	1 - 28	1 - 28
22	X-RAY DIFFRACTION	22	C	C	29 - 71	29 - 71
23	X-RAY DIFFRACTION	23	C	C	72 - 100	72 - 100
24	X-RAY DIFFRACTION	24	C	C	101 - 142	101 - 142
25	X-RAY DIFFRACTION	25	C	C	143 - 165	143 - 165
26	X-RAY DIFFRACTION	26	C	C	166 - 173	166 - 173
27	X-RAY DIFFRACTION	27	C	C	174 - 210	174 - 210
28	X-RAY DIFFRACTION	28	C	C	211 - 218	211 - 218
29	X-RAY DIFFRACTION	29	C	C	219 - 252	219 - 252
30	X-RAY DIFFRACTION	30	C	C	253 - 256	253 - 256
31	X-RAY DIFFRACTION	31	D	D	2 - 11	2 - 11
32	X-RAY DIFFRACTION	32	D	D	12 - 36	12 - 36
33	X-RAY DIFFRACTION	33	D	D	37 - 46	37 - 46
34	X-RAY DIFFRACTION	34	D	D	47 - 74	47 - 74
35	X-RAY DIFFRACTION	35	D	D	75 - 101	75 - 101
36	X-RAY DIFFRACTION	36	D	D	102 - 136	102 - 136
37	X-RAY DIFFRACTION	37	D	D	137 - 168	137 - 168
38	X-RAY DIFFRACTION	38	D	D	169 - 199	169 - 199
39	X-RAY DIFFRACTION	39	D	D	200 - 217	200 - 217
40	X-RAY DIFFRACTION	40	D	D	218 - 258	218 - 258
41	X-RAY DIFFRACTION	41	E	E	2 - 14	2 - 14
42	X-RAY DIFFRACTION	42	E	E	15 - 53	15 - 53
43	X-RAY DIFFRACTION	43	E	E	54 - 69	54 - 69
44	X-RAY DIFFRACTION	44	E	E	70 - 91	70 - 91
45	X-RAY DIFFRACTION	45	E	E	92 - 137	92 - 137
46	X-RAY DIFFRACTION	46	E	E	138 - 168	138 - 168
47	X-RAY DIFFRACTION	47	E	E	169 - 190	169 - 190
48	X-RAY DIFFRACTION	48	E	E	191 - 217	191 - 217
49	X-RAY DIFFRACTION	49	E	E	218 - 235	218 - 235
50	X-RAY DIFFRACTION	50	E	E	236 - 260	236 - 260
51	X-RAY DIFFRACTION	51	F	F	1 - 26	1 - 26
52	X-RAY DIFFRACTION	52	F	F	27 - 69	27 - 69
53	X-RAY DIFFRACTION	53	F	F	70 - 94	70 - 94
54	X-RAY DIFFRACTION	54	F	F	95 - 153	95 - 153
55	X-RAY DIFFRACTION	55	F	F	154 - 168	154 - 168
56	X-RAY DIFFRACTION	56	F	F	169 - 190	169 - 190
57	X-RAY DIFFRACTION	57	F	F	191 - 216	191 - 216
58	X-RAY DIFFRACTION	58	F	F	217 - 222	217 - 222
59	X-RAY DIFFRACTION	59	F	F	223 - 253	223 - 253
60	X-RAY DIFFRACTION	60	F	F	254 - 260	254 - 260

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