PDB-4bwq: Crystal structure of U5-15kD in a complex with PQBP1

ID or keywords:

Entry

Database: PDB / ID: 4bwq

Title

Crystal structure of U5-15kD in a complex with PQBP1

Components

POLYGLUTAMINE-BINDING PROTEIN 1
THIOREDOXIN-LIKE PROTEIN 4A

Keywords

TRANSCRIPTION / NEURODEGENERATIVE DISORDERS

Function / homology

Function and homology information

neuronal ribonucleoprotein granule / alternative mRNA splicing, via spliceosome / RNA splicing, via transesterification reactions / U2-type precatalytic spliceosome / regulation of dendrite morphogenesis / cellular response to exogenous dsRNA / regulation of RNA splicing / spliceosomal complex assembly / mRNA Splicing - Minor Pathway / U5 snRNP ...
Similarity search - Function

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Mizuguchi, M. / Obita, T. / Serita, T. / Kojima, R. / Morimoto, T. / Nabeshima, Y. / Okazawa, H.

Citation

Journal: Nat.Commun. / Year: 2014
Title: Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Authors: Mizuguchi, M. / Obita, T. / Serita, T. / Kojima, R. / Nabeshima, Y. / Okazawa, H.

History

Deposition	Jul 4, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 30, 2014	Provider: repository / Type: Initial release
Revision 1.1	May 14, 2014	Group: Database references
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4bwq.cif.gz	267.6 KB	Display	PDBx/mmCIF format
PDB format	pdb4bwq.ent.gz	219.2 KB	Display	PDB format
PDBx/mmJSON format	4bwq.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4bwq_validation.pdf.gz	476.3 KB	Display	wwPDB validaton report
Full document	4bwq_full_validation.pdf.gz	480.4 KB	Display
Data in XML	4bwq_validation.xml.gz	25.7 KB	Display
Data in CIF	4bwq_validation.cif.gz	36.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bw/4bwq ftp://data.pdbj.org/pub/pdb/validation_reports/bw/4bwq	HTTPS FTP

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Related structure data

Related structure data	4bwsC 4cdoC 1qgvS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	4umd-d 3dku-8 455 6gkl-4 5qpb-d 6ylr-1 3b5e-2 4ume-d 4nfx-5 3ici-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) 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

Related structure data

4bwsC

4cdoC

1qgvS

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#245 - May 2020 Spliceosomes similarity (4) #130 - Oct 2010 Riboswitches similarity (1) #65 - May 2005 Self-splicing RNA similarity (1)

Deposited unit

A: THIOREDOXIN-LIKE PROTEIN 4A

B: POLYGLUTAMINE-BINDING PROTEIN 1

C: THIOREDOXIN-LIKE PROTEIN 4A

D: POLYGLUTAMINE-BINDING PROTEIN 1

E: THIOREDOXIN-LIKE PROTEIN 4A

F: POLYGLUTAMINE-BINDING PROTEIN 1

G: THIOREDOXIN-LIKE PROTEIN 4A

H: POLYGLUTAMINE-BINDING PROTEIN 1

85.4 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: THIOREDOXIN-LIKE PROTEIN 4A

F: POLYGLUTAMINE-BINDING PROTEIN 1

defined by author&software
21.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: THIOREDOXIN-LIKE PROTEIN 4A

H: POLYGLUTAMINE-BINDING PROTEIN 1

defined by author&software
21.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: THIOREDOXIN-LIKE PROTEIN 4A

D: POLYGLUTAMINE-BINDING PROTEIN 1

defined by author&software
21.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

A: THIOREDOXIN-LIKE PROTEIN 4A

B: POLYGLUTAMINE-BINDING PROTEIN 1

defined by author&software
21.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	77.220, 40.040, 118.770
Angle α, β, γ (deg.)	90.00, 93.45, 90.00
Int Tables number	3
Space group name H-M	P121

#1: Protein	THIOREDOXIN-LIKE PROTEIN 4A / DIM1 PROTEIN HOMOLOG / SPLICEOSOMAL U5 SNRNP-SPECIFIC 15 KDA PROTEIN / THIOREDOXIN-LIKE U5 SNRNP ...DIM1 PROTEIN HOMOLOG / SPLICEOSOMAL U5 SNRNP-SPECIFIC 15 KDA PROTEIN / THIOREDOXIN-LIKE U5 SNRNP PROTEIN U5-15KD / U5-15KD Mass: 16743.229 Da / Num. of mol.: 4 / Fragment: RESIDUES 4-137 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): C41 / References: UniProt: P83876
#2: Protein/peptide	POLYGLUTAMINE-BINDING PROTEIN 1 / PQBP-1 / 38 KDA NUCLEAR PROTEIN CONTAINING A WW DOMAIN / NPW38 / POLYGLUTAMINE TRACT-BINDING ...PQBP-1 / 38 KDA NUCLEAR PROTEIN CONTAINING A WW DOMAIN / NPW38 / POLYGLUTAMINE TRACT-BINDING PROTEIN 1 / PQBP-1 Mass: 4606.055 Da / Num. of mol.: 4 / Fragment: RESIDUES 223-265 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): C41 / References: UniProt: O60828
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 263 / 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: 2.1 Å³/Da / Density % sol: 42 % / Description: NONE

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1
Detector	Type: MARRSEARCH / Detector: CCD / Date: Dec 7, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.1→39.52 Å / Num. obs: 42475 / % possible obs: 98.7 % / Observed criterion σ(I): 1 / Redundancy: 3.5 % / B_iso Wilson estimate: 24.1 Å² / R_merge(I) obs: 0.1 / Net I/σ(I): 8.5
Reflection shell	Resolution: 2.1→2.21 Å / Redundancy: 3.4 % / R_merge(I) obs: 0.45 / Mean I/σ(I) obs: 2.6 / % possible all: 97.3

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1QGV

1qgv

Resolution: 2.1→38.54 Å / SU ML: 0.28 / σ(F): 1.34 / Phase error: 23.82 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.252	2152	5.1 %
R_work	0.1859	-	-
obs	0.1893	42472	98.69 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.1→38.54 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5174	0	0	263	5437

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	5298
X-RAY DIFFRACTION	f_angle_d	1.013	7169
X-RAY DIFFRACTION	f_dihedral_angle_d	14.662	1993
X-RAY DIFFRACTION	f_chiral_restr	0.068	766
X-RAY DIFFRACTION	f_plane_restr	0.005	929

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 (%)
2.1001-2.1489	0.2947	134	0.24	2578	X-RAY DIFFRACTION	98
2.1489-2.2027	0.3153	142	0.219	2650	X-RAY DIFFRACTION	97
2.2027-2.2622	0.2634	127	0.207	2577	X-RAY DIFFRACTION	97
2.2622-2.3288	0.2591	144	0.1998	2696	X-RAY DIFFRACTION	99
2.3288-2.4039	0.3237	152	0.2044	2616	X-RAY DIFFRACTION	97
2.4039-2.4898	0.2636	151	0.1982	2674	X-RAY DIFFRACTION	99
2.4898-2.5895	0.2937	122	0.1885	2669	X-RAY DIFFRACTION	99
2.5895-2.7073	0.2679	141	0.1976	2682	X-RAY DIFFRACTION	98
2.7073-2.85	0.2723	127	0.1941	2719	X-RAY DIFFRACTION	99
2.85-3.0285	0.254	172	0.196	2649	X-RAY DIFFRACTION	99
3.0285-3.2622	0.236	166	0.1927	2694	X-RAY DIFFRACTION	99
3.2622-3.5903	0.2445	148	0.1857	2732	X-RAY DIFFRACTION	100
3.5903-4.1093	0.2532	134	0.1694	2736	X-RAY DIFFRACTION	99
4.1093-5.1753	0.1978	138	0.159	2777	X-RAY DIFFRACTION	100
5.1753-38.5465	0.237	154	0.1711	2871	X-RAY DIFFRACTION	100

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	0.0739	0.0489	-0.0829	0.0358	-0.0601	0.1119	0.0351	-0.0497	-0.0555	-0.0263	-0.0974	0.067	-0.0011	0.0154	-0.0086	0.0812	0.001	-0.0194	0.0446	-0.0162	0.1117	37.3729	-14.464	38.9131
2	0.0125	0.0248	0.0114	0.0839	0.0015	0.0144	-0.0053	0.0077	-0.017	-0.0375	0.0043	-0.0303	0.0142	0.008	0.0129	0.0232	0.0154	0.0009	0.0805	-0.0107	0.0283	31.8385	-9.1181	35.39
3	0.0223	-0.0284	-0.0092	0.0567	-0.0045	0.0251	-0.0009	-0.0137	-0.0898	-0.0661	0.0263	0.0655	0.0314	-0.0556	0.0031	0.1235	-0.0894	-0.0355	0.1937	0.0016	0.1188	22.3461	-10.2237	30.9394
4	0.0148	0.0066	0.0096	0.0073	0.005	0.011	-0.0054	0.0414	-0.0498	-0.0133	-0.0044	0.0099	-0.0118	0.0214	0.0001	0.0789	0.0128	0.0061	0.0785	-0.0002	0.043	32.4138	-12.141	30.7145
5	0.0056	0.0003	0.003	0.0511	-0.0296	0.0191	-0.0224	0.0243	0.1023	-0.0094	0.0327	0.0173	-0.0516	-0.022	0.016	0.1086	0.0793	-0.0394	0.0336	-0.0012	0.0549	33.4044	-2.6318	42.0001
6	0.0168	0.0209	-0.0041	0.0372	-0.0013	0.011	-0.0211	0.03	0.0244	-0.0546	0.0215	0.0251	-0.0154	0.0206	-0.0248	0.0702	-0.0438	-0.0595	0.0329	0.0557	0.178	39.6546	0.8248	29.9816
7	0.0055	0.0031	0.006	0.006	0.0056	0.0074	-0.0265	0.0175	0.0093	0.0354	0.0052	0.0105	-0.0371	-0.0355	-0.0437	0.1889	0.1262	-0.0582	0.0497	0.0382	0.2275	25.9117	3.5965	32.021
8	0.0074	0.0126	0.0035	0.016	0.0046	0.0096	-0.0048	0.0484	0.0316	-0.0703	-0.0825	0.0264	0.0428	0.0007	-0.0002	0.162	0.0102	-0.0033	0.1498	0.0166	0.0969	31.7911	-3.0001	21.6168
9	0.0056	0.0022	-0.0057	0.0016	-0.0034	0.0106	0.0214	0.021	0.0049	0.0002	0.0011	0.0434	-0.0369	-0.0327	0.0128	0.3293	0.0351	-0.0991	0.2119	0.1185	0.2725	30.8789	6.2954	24.3342
10	0.0395	-0.0527	0.0381	0.0642	-0.045	0.0504	0.0012	0.001	-0.0095	0.0236	-0.0026	0.0136	-0.0631	-0.0085	-0.0147	0.3459	-0.0572	-0.0449	-0.0297	0.0399	0.0883	40.1115	10.4627	35.947
11	0.0559	-0.0293	-0.0006	0.0923	0.0163	0.0038	0.0007	-0.0278	0.0733	0.1357	-0.0177	-0.068	-0.0046	0.0258	0.0039	0.1004	-0.0175	-0.0346	0.0327	0.0355	0.1067	47.0212	-3.548	48.7543
12	0.0492	-0.0145	0.0306	0.0107	0.0021	0.0433	0.0249	-0.0223	-0.0801	0.0302	0.018	-0.0874	0.0417	0.0144	0.0244	0.0324	-0.0029	-0.0316	0.0509	-0.0312	0.1088	18.5597	-15.4485	7.7261
13	0.0753	-0.0639	0.0243	0.0564	-0.0206	0.0083	0.0483	0.1011	-0.0161	-0.0677	0.056	0.0972	0.0215	-0.0841	0.0917	-0.1092	0.0218	-0.1505	0.139	-0.0207	0.0039	14.7258	-10.2338	-3.7447
14	0.0366	-0.0003	-0.0154	0.0165	-0.0054	0.0067	-0.0169	0.0829	-0.0565	-0.0674	0.0319	-0.0313	0.0584	-0.0544	0.0596	0.0799	-0.0274	0.0676	0.1956	-0.0643	0.0891	22.7736	-12.1643	-9.4612
15	0.0693	0.0597	0.0245	0.2224	0.1032	0.0773	0.0325	0.1323	-0.0024	-0.0438	0.0587	-0.0699	0.0176	-0.0268	0.1277	-0.4746	0.1186	-0.0055	0.0702	0.0175	0.055	15.0112	-7.3252	1.3491
16	0.1235	-0.039	-0.1019	0.0573	-0.0036	0.1124	0.0704	0.0085	0.0313	-0.0052	0.0525	-0.0201	-0.05	-0.0261	0.151	0.0698	-0.0828	0.0397	0.0228	0.0744	0.1373	24.901	-1.8446	8.0427
17	0.0295	-0.0083	0.0387	0.0038	-0.0131	0.0552	-0.0083	0.0663	0.0533	-0.0578	0.0144	0.0362	-0.0339	0.0593	0.0434	0.1622	-0.0282	0.0507	0.1109	0.0761	0.1658	21.8194	1.6261	-6.1602
18	0.0142	0.0029	0.0033	0.0074	0.0036	0.0077	-0.0132	0.0193	0.0095	0.0039	0.015	-0.0586	-0.0074	0.0547	-0.0172	-0.0772	0.0119	0.0967	0.3245	0.0061	0.1562	32.5974	-4.6501	-0.602
19	0.0035	0.0042	-0.0033	0.0052	0.0003	0.0049	0.0325	0.0758	-0.0052	-0.0447	-0.0302	-0.0178	0.0146	0.028	-0.0001	0.2793	-0.0729	0.0742	0.2415	0.0197	0.1972	29.6971	4.4629	-1.6952
20	0.0093	-0.0015	0.0094	0.0275	0.0084	0.0116	0.027	-0.02	0.0998	-0.0262	0.0224	-0.0419	-0.0829	0.0181	0.0313	0.1174	-0.0556	0.1083	0.0385	-0.0227	0.258	18.7096	8.5668	8.1902
21	0.0066	0.0077	0.007	0.0456	0.04	0.0377	-0.0187	-0.0611	-0.0183	0.104	0.0469	0.0631	-0.055	-0.0827	0.0362	0.1089	-0.0095	-0.0609	0.0233	0.2092	-0.0676	4.0424	-4.5452	16.9646
22	0.0161	0.0087	-0.0146	0.008	-0.0199	0.0529	0.0082	0.0107	0.01	-0.0097	-0.0144	0.0125	-0.0181	-0.0068	-0.0127	0.1169	0.134	-0.0398	-0.0422	0.0518	0.0357	-3.1547	-11.9743	19.89
23	-0.0018	-0.0009	0.0013	0.0014	0.002	0.0015	-0.0098	-0.1433	0.0015	0.1025	-0.0217	-0.0957	-0.0477	0.0511	-0.0003	0.1562	0.013	-0.0201	0.0779	0.0018	0.0525	8.2534	-15.7922	24.3067
24	0.0377	0.0109	0.0397	0.0463	0.0228	0.2346	-0.0321	0.0111	-0.0023	0.0601	-0.025	0.0295	0.0385	-0.0401	-0.0809	0.0568	-0.0071	-0.0023	0.1062	0.0237	0.0211	-6.7066	-20.1038	20.2551
25	0.0013	-0.0049	0.0011	0.0462	-0.0269	0.0178	-0.0088	0.0082	0.0934	0.039	0.1729	0.0587	-0.036	-0.0405	0.0014	0.224	0.1118	0.095	0.3597	0.0589	0.2339	-11.5933	-17.6261	28.7862
26	0.1713	-0.1212	-0.0618	0.2398	-0.0209	0.2607	-0.1309	-0.0395	-0.0519	0.232	-0.0133	0.0135	0.0844	-0.0263	-0.1632	0.0821	-0.0065	0.005	0.0363	0.0064	0.0833	-1.2931	-22.8868	20.4913
27	0.1699	-0.0238	-0.0436	0.1196	0.022	0.0648	-0.0662	-0.018	-0.0659	0.0986	-0.03	0.0285	-0.0075	0.0624	-0.0624	0.2133	0.0225	0.0652	0.1584	0.0657	0.1143	5.5771	-29.1749	28.8734
28	0.0838	-0.0295	0.0212	0.1555	0.1822	0.257	-0.0463	-0.0874	-0.0775	-0.0061	-0.0386	0.0051	0.0594	-0.0915	-0.0227	0.2868	-0.0032	0.0952	0.1741	0.0717	0.2397	-8.431	-31.5319	27.4906
29	0.0225	0.0111	0.0002	0.022	-0.0158	0.0314	0.0091	-0.0553	-0.0111	0.0465	-0.0393	-0.0284	-0.0041	-0.0185	-0.0662	0.3553	0.0978	0.1433	0.3355	0.1162	0.0584	-2.398	-24.8864	37.4793
30	0.0004	0.0004	0.0002	0.0058	-0.0049	0.0031	-0.073	-0.0187	0.0126	0.0634	-0.0543	-0.004	0.0256	-0.0719	-0	0.5434	-0.0035	0.05	0.4159	0.137	0.4094	-1.9032	-34.2068	35.4756
31	0.2543	-0.0627	0.1612	0.0714	-0.0385	0.1018	0.0539	0.0125	-0.0674	0.0676	0.018	0.0248	0.1046	0.0115	0.0885	0.2994	0.0661	0.0816	-0.0063	-0.0009	0.1039	5.4984	-38.7766	23.1325
32	0.0304	-0.0231	0.0049	0.0518	0.0161	0.0175	0.0105	0.0167	-0.0162	-0.0199	-0.0221	-0.0638	0.0174	0.02	-0.0163	0.1002	-0.0172	0.0229	0.01	-0.0023	0.1153	12.2938	-25.7829	8.3391
33	0.0289	-0.0001	-0.0236	0.1468	0.0097	0.0274	-0.0319	0.0264	0.0307	-0.0879	-0.045	0.0436	-0.0474	-0.0101	-0.1356	0.1123	-0.0026	-0.0162	-0.1384	0.0214	0.0243	19.458	-12.2716	66.1543
34	0.1125	0.031	0.0408	0.0259	-0.0054	0.0246	0.0319	-0.0277	0.0497	0.0218	0.0205	0.013	-0.0329	-0.0317	0.0397	-0.2158	0.0384	0.1742	0.0454	0.03	0.0064	16.3397	-17.241	60.0366
35	0.0058	0.0048	0.0025	0.0146	-0.006	0.0078	-0.0106	0.0521	0.0436	-0.0479	0.0269	0.0151	-0.0772	-0.0094	0.0445	0.1597	-0.0508	-0.1002	0.1472	0.0988	0.1279	14.5315	-17.0914	49.2064
36	0.0394	-0.0108	-0.0085	0.0325	0.0162	0.0273	0.0235	0.0177	0.018	-0.0073	0.0029	0.0546	-0.0588	-0.0367	-0.0727	0.0617	0.0834	0.0168	0.1624	0.112	0.0793	9.3797	-14.2294	59.5121
37	0.0255	0.0097	0.0199	0.0085	0.0075	0.0144	0.0107	0.0374	-0.0573	-0.0397	0.0259	0.0168	-0.0049	0.0789	0.0029	0.0809	-0.0165	0.007	0.0697	-0.0059	0.0573	28.2688	-21.3323	63.4458
38	0.1873	-0.0539	0.1102	0.1159	-0.1149	0.2759	0.1716	0.0245	-0.171	-0.0533	0.0555	0.0716	0.248	-0.0203	0.2253	0.1031	-0.0452	-0.059	0.0676	-0.0037	0.0774	15.2653	-27.8957	59.4056
39	0.0051	0.0032	0.0103	0.0182	0.0126	0.0261	-0.0222	-0.0496	-0.006	-0.0131	-0.0229	0.0629	-0.0111	-0.1123	-0.0135	0.0496	-0.0221	0.0046	0.2654	0.0371	0.3858	2.7872	-24.2384	59.4039
40	0.001	-0.0002	-0.0012	0.001	0.0005	0.0035	0.008	-0.0298	-0.0062	0.0138	0.0103	-0.0025	0.0049	-0.0084	-0.0001	0.3542	-0.055	-0.0961	0.4352	0.0934	0.2998	5.2053	-32.7232	66.3283
41	0.0038	-0.0019	-0.0012	0.0043	0.0003	0.0043	-0.0124	-0.0001	0.0114	0.0071	-0.0031	-0.0121	-0.0085	-0	-0	0.8104	0.0226	-0.1045	0.7079	0.0741	0.6461	6.0411	-33.9922	51.6785
42	0.0907	0.0025	-0.0184	0.0348	-0.0033	0.0137	-0.0202	-0.0093	-0.0864	0.0128	-0.0079	0.0243	0.0111	0.0012	-0.0641	0.1956	-0.0067	-0.112	0.0459	0.0187	0.2294	16.5348	-37.2766	68.0964
43	0.0282	-0.0022	-0.003	0.0602	-0.0055	-0.002	-0.0081	-0.0379	-0	0.058	0.0111	0.0218	0.0112	0.0475	0.0174	0.1355	-0.0401	0.079	-0.1968	-0.0275	0.0679	31.6687	-23.5734	76.2707

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 4 THROUGH 20 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 21 THROUGH 35 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 36 THROUGH 52 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 53 THROUGH 62 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 63 THROUGH 85 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 86 THROUGH 93 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 94 THROUGH 108 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 109 THROUGH 125 )
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 126 THROUGH 137 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 238 THROUGH 247 )
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESID 248 THROUGH 260 )
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 5 THROUGH 24 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 25 THROUGH 35 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 36 THROUGH 52 )
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 53 THROUGH 84 )
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESID 85 THROUGH 93 )
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESID 94 THROUGH 108 )
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESID 109 THROUGH 125 )
19	X-RAY DIFFRACTION	19	CHAIN C AND (RESID 126 THROUGH 137 )
20	X-RAY DIFFRACTION	20	CHAIN D AND (RESID 238 THROUGH 247 )
21	X-RAY DIFFRACTION	21	CHAIN D AND (RESID 248 THROUGH 263 )
22	X-RAY DIFFRACTION	22	CHAIN E AND (RESID 4 THROUGH 10 )
23	X-RAY DIFFRACTION	23	CHAIN E AND (RESID 11 THROUGH 24 )
24	X-RAY DIFFRACTION	24	CHAIN E AND (RESID 25 THROUGH 35 )
25	X-RAY DIFFRACTION	25	CHAIN E AND (RESID 36 THROUGH 52 )
26	X-RAY DIFFRACTION	26	CHAIN E AND (RESID 53 THROUGH 85 )
27	X-RAY DIFFRACTION	27	CHAIN E AND (RESID 86 THROUGH 93 )
28	X-RAY DIFFRACTION	28	CHAIN E AND (RESID 94 THROUGH 108 )
29	X-RAY DIFFRACTION	29	CHAIN E AND (RESID 109 THROUGH 124 )
30	X-RAY DIFFRACTION	30	CHAIN E AND (RESID 125 THROUGH 137 )
31	X-RAY DIFFRACTION	31	CHAIN F AND (RESID 238 THROUGH 247 )
32	X-RAY DIFFRACTION	32	CHAIN F AND (RESID 248 THROUGH 262 )
33	X-RAY DIFFRACTION	33	CHAIN G AND (RESID 4 THROUGH 20 )
34	X-RAY DIFFRACTION	34	CHAIN G AND (RESID 21 THROUGH 35 )
35	X-RAY DIFFRACTION	35	CHAIN G AND (RESID 36 THROUGH 48 )
36	X-RAY DIFFRACTION	36	CHAIN G AND (RESID 49 THROUGH 62 )
37	X-RAY DIFFRACTION	37	CHAIN G AND (RESID 63 THROUGH 72 )
38	X-RAY DIFFRACTION	38	CHAIN G AND (RESID 73 THROUGH 108 )
39	X-RAY DIFFRACTION	39	CHAIN G AND (RESID 109 THROUGH 125 )
40	X-RAY DIFFRACTION	40	CHAIN G AND (RESID 126 THROUGH 131 )
41	X-RAY DIFFRACTION	41	CHAIN G AND (RESID 132 THROUGH 137 )
42	X-RAY DIFFRACTION	42	CHAIN H AND (RESID 238 THROUGH 247 )
43	X-RAY DIFFRACTION	43	CHAIN H AND (RESID 248 THROUGH 263 )

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