PDB-4qhs: Crystal structure of AAA+sigma 54 activator domain of the flagell...

ID or keywords:

Entry

Database: PDB / ID: 4qhs

Title

Crystal structure of AAA+sigma 54 activator domain of the flagellar regulatory protein FlrC of Vibrio cholerae in nucleotide free state

Components

Flagellar regulatory protein C

Keywords

TRANSCRIPTION / AAA+ ATPase domain / ATPase activity

Function / homology

Function and homology information

phosphorelay signal transduction system / sequence-specific DNA binding / regulation of DNA-templated transcription / ATP hydrolysis activity / ATP binding / metal ion binding
Similarity search - Function

Biological species

Vibrio cholerae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Dey, S. / Biswas, M. / Sen, U. / Dasgupta, J.

Citation

Journal: J.Biol.Chem. / Year: 2015
Title: Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC
Authors: Dey, S. / Biswas, M. / Sen, U. / Dasgupta, J.

History

Deposition	May 29, 2014	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jul 16, 2014	Provider: repository / Type: Initial release
Revision 1.1	Oct 14, 2015	Group: Database references
Revision 1.2	Nov 8, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / 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 / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4qhs.cif.gz	687.3 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	4qhs_validation.pdf.gz	511.3 KB	Display	wwPDB validaton report
Full document	4qhs_full_validation.pdf.gz	551 KB	Display
Data in XML	4qhs_validation.xml.gz	70 KB	Display
Data in CIF	4qhs_validation.cif.gz	97.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qh/4qhs ftp://data.pdbj.org/pub/pdb/validation_reports/qh/4qhs	HTTPS FTP

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Related structure data

Related structure data	4qhtC 3dzdS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6luf-d 6lua-d 4qht-d 1vg3-3 1v4h-2 1v4k-2 5imh-d 1vg6-3 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	#190 - Oct 2015 Two-component Systems similarity (5) #97 - Jan 2008 Circadian Clock Proteins similarity (1)

Deposited unit

A: Flagellar regulatory protein C

C: Flagellar regulatory protein C

B: Flagellar regulatory protein C

F: Flagellar regulatory protein C

G: Flagellar regulatory protein C

E: Flagellar regulatory protein C

D: Flagellar regulatory protein C

hetero molecules

209 kDa, 7 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)	81.292, 153.285, 193.747
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Flagellar regulatory protein C Mass: 29832.258 Da / Num. of mol.: 7 / Fragment: UNP residues 132-381 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae (bacteria) / Strain: O395 / Gene: flrC / Plasmid: pET28a+ / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: A5F6D4, UniProt: A0A0H3AHP1*PLUS
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 757 / 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 Å³/Da / Density % sol: 59.03 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 10% PEG 6000, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.98 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Dec 5, 2013
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.98 Å / Relative weight: 1
Reflection	Resolution: 2.3→49.387 Å / Num. all: 108073 / Num. obs: 96306 / % possible obs: 89 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.3→2.34 Å / % possible all: 89.01

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.8.4_1496)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3DZD

3dzd

Resolution: 2.3→49.387 Å / FOM work R set: 0.7949 / SU ML: 0.33 / σ(F): 1.34 / Phase error: 27.21 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2547	2000	2.08 %	Random
R_work	0.1919	-	-	-
all	0.1919	96306	-	-
obs	0.1932	96306	89.01 %	-

Solvent computation

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

Displacement parameters

B_iso max: 148.38 Å² / B_iso mean: 55.4 Å² / B_iso min: 25.41 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→49.387 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13261	0	28	757	14046

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	13524
X-RAY DIFFRACTION	f_angle_d	1.194	18297
X-RAY DIFFRACTION	f_chiral_restr	0.048	2088
X-RAY DIFFRACTION	f_plane_restr	0.006	2383
X-RAY DIFFRACTION	f_dihedral_angle_d	17.676	5146

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.2997-2.3572	0.3274	139	0.2385	6546	6685	87
2.3572-2.4209	0.3429	142	0.241	6729	6871	90
2.4209-2.4922	0.3117	143	0.2289	6721	6864	90
2.4922-2.5726	0.2985	143	0.2294	6738	6881	90
2.5726-2.6645	0.286	142	0.2257	6687	6829	89
2.6645-2.7712	0.3135	141	0.2183	6672	6813	89
2.7712-2.8973	0.2526	141	0.2196	6675	6816	89
2.8973-3.0501	0.2786	141	0.2143	6645	6786	88
3.0501-3.2411	0.2923	144	0.2161	6769	6913	90
3.2411-3.4913	0.3084	145	0.2052	6834	6979	91
3.4913-3.8425	0.235	145	0.1895	6864	7009	90
3.8425-4.3983	0.2304	145	0.1644	6800	6945	89
4.3983-5.5402	0.2026	143	0.1601	6801	6944	88
5.5402-49.398	0.2234	146	0.1724	6825	6971	86

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	2.6207	0.9882	1.1574	6.1694	-0.0913	4.1413	-0.0813	0.3663	-0.1415	-0.7912	0.0982	-0.0464	0.3423	0.2224	0.0167	0.4341	0.0689	0.0222	0.4182	0.0673	0.3469	14.0244	62.4812	-42.4707
2	2.5553	-2.9906	2.4254	4.3664	-4.851	7.1889	0.4775	0.8211	-0.535	-1.1673	-0.43	-0.1012	0.9863	0.8684	0.0079	0.5645	0.1192	0.0421	0.5182	-0.0143	0.3378	25.522	59.8665	-41.4102
3	6.3236	-0.8053	1.7896	2.0245	-0.9778	3.4813	0.3429	-0.2364	-0.5702	-0.0539	-0.4472	-0.1046	0.128	0.4208	0.0864	0.3718	0.0709	0.0479	0.4473	0.0743	0.4893	34.3882	50.9714	-23.2734
4	5.5643	-1.5426	-0.3117	2.3555	-1.2496	6.9227	0.109	-0.0554	0.1254	0.016	0.0934	-0.1574	0.3014	0.1372	-0.1423	0.2754	0.0291	0.0266	0.2248	0.041	0.3609	24.7389	60.0467	-24.7715
5	6.5849	0.2045	2.2543	2.9471	-1.6534	3.2557	-0.1484	0.1088	0.2968	0.2178	-0.1353	-0.1708	-0.3563	0.2753	0.3175	0.3263	0.0465	0.1172	0.3327	-0.036	0.4001	32.5651	63.1737	-25.4487
6	4.4974	-0.8991	-0.3401	2.8721	0.5871	5.6433	0.0187	-0.1092	0.3124	0.3221	0.0153	0.7026	0.0234	-0.5115	-0.0186	0.3503	0.0442	0.1047	0.541	0.0265	0.4812	12.3564	61.2124	-22.2731
7	0.9022	1.2063	0.6805	3.334	2.9203	2.6825	0.1729	0.0496	-0.1182	-0.7122	-0.084	-0.0326	-0.2424	-0.076	-0.1043	0.7917	-0.0191	-0.0759	0.3893	0.1266	0.5162	12.5015	51.6279	-47.6587
8	3.8827	-2.4241	-1.1364	5.8655	0.5969	1.5133	0.1187	0.3881	0.1984	-0.2155	-0.0744	-0.0319	-0.3419	-0.4102	-0.0618	0.47	0.0454	-0.1173	0.5682	0.0521	0.3328	9.4487	40.4118	-51.2584
9	8.4877	-1.8528	-4.6228	4.6535	4.2915	5.5348	0.146	0.1163	-0.3334	-0.4957	0.6777	1.3472	1.5477	-0.3591	-0.2537	0.7697	0.1073	-0.1175	0.9604	0.0898	0.37	6.3517	33.1864	-52.7108
10	1.7704	2.5077	0.4333	5.2543	-0.3915	1.5787	0.0062	-0.2472	-0.4857	0.5195	-0.1844	-0.3841	0.5238	-0.1726	0.2189	0.4668	0.0108	0.0083	0.3407	-0.0678	0.4429	14.03	-8.3544	-13.7731
11	3.5515	2.4496	0.602	3.3119	1.9969	1.6909	-0.0512	-0.6147	-1.2421	0.6186	0.0233	-0.7684	0.8292	0.0804	0.1208	0.4986	0.0634	-0.0475	0.4887	0.0753	0.6756	26.0008	-7.2757	-12.1261
12	8.5931	2.5361	-3.3636	3.775	0.9653	5.3549	0.6992	-0.5146	0.3743	0.0291	-0.1133	-0.0514	-0.2777	-0.2999	-0.109	0.3577	0.007	-0.0233	0.432	0.0343	0.3472	28.3624	12.2996	-5.5082
13	5.6392	1.3098	0.5881	3.4117	1.8192	1.652	0.0694	-0.0118	0.1329	0.113	0.0163	-0.2121	0.0446	0.0939	-0.0829	0.2976	0.0448	0.0165	0.3618	0.0254	0.3059	31.026	9.7294	-14.7217
14	7.0433	-2.8537	-0.722	7.0861	0.2568	5.1445	0.0912	0.4505	-0.2562	0.1066	-0.203	0.4344	0.0552	-1.0914	0.2258	0.3109	0.0363	-0.0539	0.4454	-0.0547	0.3431	12.3703	11.4598	-17.1492
15	0.7113	0.1827	-1.7455	3.0686	-4.645	8.8524	-0.0613	-0.0844	0.0251	-0.0117	-0.1254	0.2311	0.7591	0.3916	0.2717	0.6654	-0.0361	0.0577	0.5071	-0.1346	0.4876	11.9021	-11.0483	-2.7866
16	6.7858	-1.2012	1.1163	4.1493	0.1259	4.0514	0.3436	-0.4432	-0.6977	-0.3925	0.0723	-0.2863	0.5827	0.322	-0.4381	0.7153	-0.0089	-0.0927	0.4305	0.003	0.5992	8.5464	-15.1065	9.0229
17	3.4001	-0.3007	-0.4408	5.08	-3.4371	7.5296	0.0377	0.0747	-0.5077	0.3035	-0.2976	-0.2587	0.0459	-0.6135	0.2331	0.5188	-0.0717	-0.0605	0.2478	-0.0132	0.5196	10.0193	-10.0519	12.8981
18	1.7113	1.6941	0.0682	5.1893	-0.4188	3.9351	-0.1911	0.0926	-0.245	-0.3996	0.1392	-0.1375	0.6904	0.3399	-0.016	0.5348	0.1273	-0.0683	0.456	-0.0447	0.4025	14.195	20.467	-45.3903
19	4.0768	0.5642	1.4263	1.5389	0.1643	5.6337	0.2601	0.1881	-0.4114	0.0456	0.2147	-0.1527	0.4297	0.6222	-0.5377	0.3886	0.1136	-0.0109	0.3366	-0.0462	0.474	30.6651	24.4084	-32.2937
20	4.6581	-0.7817	-0.845	1.9039	0.2158	2.3324	-0.031	0.0006	0.184	-0.0137	0.01	0.1042	-0.1398	-0.0892	0.031	0.3874	0.0645	-0.025	0.3728	0.0031	0.4033	22.9989	33.9213	-32.8315
21	0.1485	-0.021	-0.2869	5.5804	-2.1892	0.8214	0.0906	0.1421	0.0768	-0.4578	-0.0222	0.1447	0.3238	-0.1757	0.0266	0.616	-0.0212	-0.0802	0.4512	-0.078	0.3768	11.7154	10.7565	-40.1128
22	6.6593	-4.041	-2.7826	5.9189	0.2652	2.214	-0.2294	0.6973	-0.5473	-0.3852	-0.3273	0.3888	-0.0476	-0.3588	0.5526	0.4811	-0.0429	-0.1017	0.5533	-0.1202	0.4606	9.1175	-1.475	-36.1233
23	6.7416	2.1782	1.7136	8.8702	-4.6341	4.6466	0.1675	0.3037	-0.3783	0.1901	0.1203	0.2598	-0.0867	-0.3176	-0.2363	0.3422	0.0489	-0.0076	0.4766	-0.1121	0.3387	10.7594	-1.6629	-29.966
24	2.5658	-1.0223	0.2321	4.738	1.0013	5.3779	-0.0126	-0.139	0.3071	-0.1172	0.0342	-0.1798	-1.1412	-0.233	0.0005	0.5013	0.0101	0.0683	0.345	-0.0634	0.3537	14.0664	74.3909	33.0476
25	3.2104	-1.835	-0.147	1.5916	2.4526	7.9059	0.2074	0.0607	0.6307	-0.2999	-0.1547	-0.1646	-0.7054	-0.0208	0.0057	0.4361	-0.1	0.1072	0.3473	0.018	0.4697	26.5713	68.659	25.2327
26	4.658	-0.4823	-0.3911	2.4933	1.9081	3.1339	-0.0116	-0.1284	-0.1396	-0.1551	0.0522	-0.1142	-0.0151	0.2301	-0.0459	0.3365	-0.0402	-0.0006	0.3428	0.02	0.2988	30.3592	57.8033	23.2373
27	6.363	-1.7994	0.0581	1.7369	1.0978	5.1456	-0.08	-0.8719	-0.4206	0.0899	0.268	0.0017	0.2904	0.5897	-0.1605	0.3436	-0.0846	-0	0.304	0.0941	0.3742	32.4483	57.7135	29.8339
28	5.5141	1.2252	-0.1997	7.3411	1.0091	4.4944	-0.1445	-0.2526	-0.336	-0.5351	0.1668	0.281	0.02	-1.1145	-0.077	0.3537	-0.0799	0.0067	0.459	-0.0436	0.374	12.3187	55.0639	26.9682
29	0.5881	-0.195	1.0319	7.6411	-5.8709	5.3059	-0.0573	-0.0364	0.031	0.4854	0.0352	0.0815	-1.1248	-0.117	0.057	0.7685	0.1233	-0.0085	0.4902	-0.1195	0.4397	11.4841	81.3075	24.2629
30	4.7677	-0.0231	-0.1572	4.5367	-0.2964	3.1515	0.1076	-0.265	0.8571	0.7322	0.0514	0.0986	-0.4425	0.0767	-0.1559	0.6637	0.0812	0.1049	0.5144	-0.0686	0.5438	9.7908	90.6334	15.2466
31	3.7798	-0.2948	0.5882	9.522	-6.4217	8.4484	0.3327	0.0506	0.3208	0.3988	-0.1517	0.4323	-0.1476	-0.1144	-0.1791	0.4978	0.0964	0.0812	0.2871	-0.0503	0.4628	10.7831	87.8466	9.6885
32	2.4027	-1.8644	0.3046	4.4975	1.2386	5.1706	0.2543	0.3816	0.4588	-0.4951	-0.2072	-0.5369	-0.3294	0.0107	0.0651	0.4722	0.1197	0.0929	0.3419	0.0684	0.4346	14.23	86.882	-7.3315
33	3.5432	-1.6376	1.0473	6.7998	1.0499	1.7092	0.1497	0.3128	0.3501	-0.4279	-0.1964	-0.3598	-0.3115	0.244	0.0446	0.3983	-0.0263	0.0929	0.4751	0.0487	0.2949	26.5279	77.2291	-7.7556
34	5.174	-1.4814	-0.5823	4.1946	-0.2405	1.2012	0.0264	-0.0834	0.0807	0.1755	0.0384	-0.3488	0.1221	0.1183	-0.0652	0.3588	-0.0034	0.0085	0.4202	-0.0136	0.2824	31.1502	70.4557	0.8635
35	6.5855	0.4511	-1.8667	6.6425	-1.5149	6.3127	0.0854	-0.0467	0.3451	0.2046	-0.2887	0.7837	-0.1041	-1.2959	0.1712	0.2967	0.053	0.0644	0.3898	-0.0201	0.3747	12.4542	69.9767	4.0341
36	0.2582	0.4846	1.0372	-0.4433	0.5109	5.1493	-0.0022	0	0.1521	0.1463	-0.1701	0.05	-0.4931	-0.5157	0.1444	0.5353	0.168	0.0298	0.3943	0.0683	0.4027	11.4058	81.6561	-24.5798
37	4.1552	-0.9	1.6971	4.9841	4.252	5.9868	0.0455	-0.5627	-0.3834	0.2927	-1.289	0.6095	1.2946	-1.5039	0.1281	0.2648	0.5042	-0.0128	0.1968	0.4662	0.3431	8.0621	77.8249	-36.9983
38	0.5793	-0.127	-1.7698	6.3777	-0.7481	5.6842	0.1825	-0.2803	0.0861	0.5918	-0.1045	-0.1312	-0.5505	-0.0273	-0.0583	0.3805	-0.0835	0.0344	0.4847	0.0324	0.3736	13.9861	34.9181	48.6449
39	2.0613	0.3789	-1.1526	1.0816	-2.4725	6.8408	-0.0977	-0.8434	0.408	0.6891	-0.1628	-0.2425	-1.1503	-0.0338	0.2319	0.546	-0.1138	-0.0563	0.6773	-0.0625	0.3671	25.5819	36.6745	46.6517
40	9.5871	-6.4009	1.5614	4.4219	-1.6467	3.0535	0.4609	0.1037	0.2272	-0.1347	-0.3622	0.097	-0.3362	0.5313	0.0434	0.3816	-0.0635	0.009	0.3506	0.0231	0.4853	28.3205	38.7601	26.3394
41	4.745	1.2464	-1.4594	1.6556	-0.7745	5.8752	-0.0257	0.0854	0.1739	-0.0246	0.1203	-0.1074	-0.2331	0.18	-0.1053	0.3587	-0.0155	-0.016	0.2836	0.0166	0.3956	32.3751	35.3279	30.0724
42	8.4419	-0.8819	4.8415	4.9123	-3.7586	5.0181	-0.0256	0.1934	-0.6789	-0.4332	-0.1793	-0.3031	1.1263	-0.3658	0.0817	0.3594	-0.0185	0.0371	0.3277	-0.0229	0.3983	25.4395	24.5274	28.3045
43	4.7864	0.1233	-1.1389	1.7127	-1.4168	4.7696	-0.1955	-0.0653	-0.4664	0.0047	-0.1236	-0.2297	0.0973	0.6897	0.3619	0.2733	-0.0686	-0.0488	0.329	-0.0132	0.4667	32.6752	26.9423	33.7766
44	5.4499	1.2062	0.6504	3.4389	1.4477	7.2041	0.3953	-0.0036	-0.3185	0.0786	-0.1502	0.5331	-0.1155	-0.3002	-0.2318	0.2651	-0.0499	-0.0013	0.339	0.0465	0.4203	12.4429	27.3842	29.7082
45	1.4648	-1.792	-0.5309	2.8898	1.6094	1.1631	0.0162	-0.1838	-0.1184	0.5631	-0.0092	0.204	-0.2986	-0.254	0.0025	0.5248	0.0152	0.0808	0.4639	-0.0208	0.4856	8.047	40.2163	46.4357
46	9.1452	6.3798	-0.3221	7.8183	-0.405	1.4832	-0.3305	-0.0056	-0.3427	0.1674	0.2602	-0.5642	0.4952	0.3989	-0.0347	0.4656	0.0395	0.0728	0.3497	-0.06	0.401	19.226	55.98	50.255
47	4.2297	2.3366	0.6361	4.1097	0.568	2.5503	0.1921	-0.3866	0.3417	0.1775	-0.113	0.4826	0.3468	-0.3526	0.0521	0.4199	-0.068	0.1123	0.4238	-0.0793	0.4162	7.2389	58.1766	49.5091
48	3.1633	-0.7792	-1.6248	7.4568	3.2999	2.4244	0.1261	-0.1791	-0.1485	-0.3608	-0.1338	0.2578	0.1966	-0.2828	0.0998	0.3432	-0.0593	0.0085	0.3665	-0.0494	0.2454	10.5185	61.3661	44.4147
49	1.8774	-0.0528	-1.2316	2.1319	0.6331	5.3043	0.1766	-0.4276	-0.1767	0.5789	-0.0314	-0.4102	0.1118	0.3673	-0.069	0.5891	-0.1239	-0.0417	0.4244	0.1281	0.5238	14.2933	-2.1443	27.5434
50	4.4795	1.4384	-0.2897	3.9388	0.0039	0.7179	0.2665	-0.3678	0.039	0.574	-0.2476	-0.1635	-0.0253	0.2268	0.0043	0.4288	-0.0472	-0.0707	0.4546	-0.0003	0.3449	29.3669	9.576	20.3045
51	5.1945	0.7476	0.739	2.3345	-0.4606	1.872	-0.092	0.4283	-0.3398	-0.2429	0.0888	0.1526	0.0653	-0.0233	0.0062	0.3421	-0.0212	-0.0633	0.323	-0.0441	0.3037	22.9763	6.8118	9.9974
52	0.7935	-0.6575	-0.6791	2.0862	4.2552	5.8166	-0.022	-0.1585	-0.0922	0.1865	0.0545	0.0048	0.6267	-0.0649	-0.043	0.4751	-0.06	0.0059	0.3623	0.1291	0.3969	11.2209	10.1688	40.6971
53	1.3027	1.9315	0.0689	3.6127	2.4179	6.8774	0.1298	0.1902	-0.2	0.8667	-0.1297	1.419	-1.291	-1.4719	-0.1454	0.5907	0.1557	-0.018	0.9896	0.2102	0.2946	6.4211	19.5831	48.9037

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 132 THROUGH 165 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 166 THROUGH 188 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 189 THROUGH 222 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 223 THROUGH 250 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 251 THROUGH 272 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 273 THROUGH 293 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 294 THROUGH 324 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 325 THROUGH 362 )
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 363 THROUGH 374 )
10	X-RAY DIFFRACTION	10	CHAIN C AND (RESID 132 THROUGH 166 )
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESID 167 THROUGH 188 )
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 189 THROUGH 202 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 203 THROUGH 272 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 273 THROUGH 293 )
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 294 THROUGH 323 )
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESID 324 THROUGH 347 )
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESID 348 THROUGH 373 )
18	X-RAY DIFFRACTION	18	CHAIN B AND (RESID 132 THROUGH 165 )
19	X-RAY DIFFRACTION	19	CHAIN B AND (RESID 166 THROUGH 223 )
20	X-RAY DIFFRACTION	20	CHAIN B AND (RESID 224 THROUGH 293 )
21	X-RAY DIFFRACTION	21	CHAIN B AND (RESID 294 THROUGH 322 )
22	X-RAY DIFFRACTION	22	CHAIN B AND (RESID 323 THROUGH 347 )
23	X-RAY DIFFRACTION	23	CHAIN B AND (RESID 348 THROUGH 373 )
24	X-RAY DIFFRACTION	24	CHAIN F AND (RESID 132 THROUGH 165 )
25	X-RAY DIFFRACTION	25	CHAIN F AND (RESID 166 THROUGH 202 )
26	X-RAY DIFFRACTION	26	CHAIN F AND (RESID 203 THROUGH 250 )
27	X-RAY DIFFRACTION	27	CHAIN F AND (RESID 251 THROUGH 272 )
28	X-RAY DIFFRACTION	28	CHAIN F AND (RESID 273 THROUGH 293 )
29	X-RAY DIFFRACTION	29	CHAIN F AND (RESID 294 THROUGH 322 )
30	X-RAY DIFFRACTION	30	CHAIN F AND (RESID 323 THROUGH 347 )
31	X-RAY DIFFRACTION	31	CHAIN F AND (RESID 348 THROUGH 372 )
32	X-RAY DIFFRACTION	32	CHAIN G AND (RESID 132 THROUGH 165 )
33	X-RAY DIFFRACTION	33	CHAIN G AND (RESID 166 THROUGH 202 )
34	X-RAY DIFFRACTION	34	CHAIN G AND (RESID 203 THROUGH 272 )
35	X-RAY DIFFRACTION	35	CHAIN G AND (RESID 273 THROUGH 293 )
36	X-RAY DIFFRACTION	36	CHAIN G AND (RESID 294 THROUGH 361 )
37	X-RAY DIFFRACTION	37	CHAIN G AND (RESID 362 THROUGH 373 )
38	X-RAY DIFFRACTION	38	CHAIN E AND (RESID 132 THROUGH 165 )
39	X-RAY DIFFRACTION	39	CHAIN E AND (RESID 166 THROUGH 188 )
40	X-RAY DIFFRACTION	40	CHAIN E AND (RESID 189 THROUGH 202 )
41	X-RAY DIFFRACTION	41	CHAIN E AND (RESID 203 THROUGH 237 )
42	X-RAY DIFFRACTION	42	CHAIN E AND (RESID 238 THROUGH 250 )
43	X-RAY DIFFRACTION	43	CHAIN E AND (RESID 251 THROUGH 272 )
44	X-RAY DIFFRACTION	44	CHAIN E AND (RESID 273 THROUGH 293 )
45	X-RAY DIFFRACTION	45	CHAIN E AND (RESID 294 THROUGH 311 )
46	X-RAY DIFFRACTION	46	CHAIN E AND (RESID 312 THROUGH 325 )
47	X-RAY DIFFRACTION	47	CHAIN E AND (RESID 326 THROUGH 347 )
48	X-RAY DIFFRACTION	48	CHAIN E AND (RESID 348 THROUGH 373 )
49	X-RAY DIFFRACTION	49	CHAIN D AND (RESID 132 THROUGH 165 )
50	X-RAY DIFFRACTION	50	CHAIN D AND (RESID 166 THROUGH 237 )
51	X-RAY DIFFRACTION	51	CHAIN D AND (RESID 238 THROUGH 292 )
52	X-RAY DIFFRACTION	52	CHAIN D AND (RESID 293 THROUGH 362 )
53	X-RAY DIFFRACTION	53	CHAIN D AND (RESID 363 THROUGH 374 )

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