PDB-4qht: Crystal structure of AAA+/ sigma 54 activator domain of the flage...

ID or keywords:

Entry

Database: PDB / ID: 4qht

Title

Crystal structure of AAA+/ sigma 54 activator domain of the flagellar regulatory protein FlrC from Vibrio cholerae in ATP analog bound state

Components

Flagellar regulatory protein C

Keywords

TRANSCRIPTION / AAA+ ATPase domain / ATP hydrolysis

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 / Resolution: 2.559 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	Mar 20, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / 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 / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _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

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Validation report

Summary document	4qht_validation.pdf.gz	2.4 MB	Display	wwPDB validaton report
Full document	4qht_full_validation.pdf.gz	2.5 MB	Display
Data in XML	4qht_validation.xml.gz	71.4 KB	Display
Data in CIF	4qht_validation.cif.gz	95 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qh/4qht ftp://data.pdbj.org/pub/pdb/validation_reports/qh/4qht	HTTPS FTP

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Related structure data

Related structure data	4qhsC C: citing same article (ref.)
Similar structure data	4qhs-d 6luf-d 6lua-d 10230 5imh-d 1v4h-2 1v4k-2 1vg2-3 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) #108 - Dec 2008 Hsp90 similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #182 - Feb 2015 Insulin receptor similarity (1) #214 - Oct 2017 Chimeric Antigen Receptors similarity (1) #238 - Oct 2019 Ribonucleotide Reductase similarity (1) #43 - Jul 2003 Src Tyrosine Kinase similarity (1) #50 - Feb 2004 Glycolytic Enzymes similarity (1) #60 - Dec 2004 Ubiquitin similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #80 - Aug 2006 AAA+ Proteases similarity (1) #95 - Nov 2007 Multidrug Resistance Transporters similarity (1)

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)
#108 - Dec 2008
Hsp90
similarity (1)
#168 - Dec 2013
DNA Helicase
similarity (1)
#182 - Feb 2015
Insulin receptor
similarity (1)
#214 - Oct 2017
Chimeric Antigen Receptors
similarity (1)
#238 - Oct 2019
Ribonucleotide Reductase
similarity (1)
#43 - Jul 2003
Src Tyrosine Kinase
similarity (1)
#50 - Feb 2004
Glycolytic Enzymes
similarity (1)
#60 - Dec 2004
Ubiquitin
similarity (1)
#73 - Jan 2006
Topoisomerase
similarity (1)
#80 - Aug 2006
AAA+ Proteases
similarity (1)
#95 - Nov 2007
Multidrug Resistance Transporters
similarity (1)

Deposited unit

A: Flagellar regulatory protein C

B: Flagellar regulatory protein C

C: Flagellar regulatory protein C

D: Flagellar regulatory protein C

E: Flagellar regulatory protein C

F: Flagellar regulatory protein C

G: Flagellar regulatory protein C

hetero molecules

213 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)	80.959, 152.560, 193.138
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-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Mass: 506.196 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₁₀H₁₇N₆O₁₂P₃ / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 395 / 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: 2.86 Å³/Da / Density % sol: 56.93 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 12% 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 6, 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: 2.559→49.387 Å / Num. all: 77804 / Num. obs: 77495 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / B_iso Wilson estimate: 49.49 Å²
Reflection shell	Resolution: 2.56→2.6 Å / % possible all: 99.6

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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

Resolution: 2.559→49.199 Å / FOM work R set: 0.7938 / SU ML: 0.36 / σ(F): 1.35 / Phase error: 27.02 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2474	3899	5.03 %
R_work	0.1822	-	-
obs	0.1856	77495	99.45 %

Solvent computation

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

Displacement parameters

B_iso max: 167.24 Å² / B_iso mean: 54.7 Å² / B_iso min: 19.86 Å²

Refinement step

Cycle: LAST / Resolution: 2.559→49.199 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13469	0	272	395	14136

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.011	13968
X-RAY DIFFRACTION	f_angle_d	1.301	18892
X-RAY DIFFRACTION	f_chiral_restr	0.056	2163
X-RAY DIFFRACTION	f_plane_restr	0.006	2408
X-RAY DIFFRACTION	f_dihedral_angle_d	19.07	5298

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 28

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.5591-2.5903	0.3591	129	0.2684	2406	2535	92
2.5903-2.6231	0.3777	135	0.2571	2617	2752	100
2.6231-2.6576	0.2932	132	0.2481	2596	2728	100
2.6576-2.694	0.2956	137	0.229	2618	2755	100
2.694-2.7325	0.2949	146	0.2286	2579	2725	100
2.7325-2.7733	0.3379	152	0.2269	2615	2767	100
2.7733-2.8166	0.3144	131	0.2209	2617	2748	100
2.8166-2.8628	0.2941	133	0.2259	2617	2750	100
2.8628-2.9121	0.3035	144	0.2183	2610	2754	100
2.9121-2.9651	0.2849	131	0.2186	2634	2765	100
2.9651-3.0221	0.255	144	0.2091	2598	2742	100
3.0221-3.0838	0.2985	157	0.2153	2611	2768	100
3.0838-3.1508	0.3168	135	0.2224	2609	2744	100
3.1508-3.2241	0.2804	134	0.2218	2645	2779	100
3.2241-3.3047	0.2963	181	0.2226	2561	2742	100
3.3047-3.394	0.2924	136	0.2067	2660	2796	100
3.394-3.4939	0.2592	130	0.2022	2632	2762	100
3.4939-3.6066	0.2995	126	0.1972	2621	2747	100
3.6066-3.7355	0.2589	155	0.1787	2636	2791	100
3.7355-3.885	0.2966	139	0.1779	2655	2794	100
3.885-4.0617	0.2206	126	0.1701	2652	2778	100
4.0617-4.2757	0.2091	137	0.1555	2650	2787	100
4.2757-4.5435	0.209	133	0.1414	2663	2796	100
4.5435-4.894	0.1851	132	0.1384	2645	2777	100
4.894-5.3859	0.212	147	0.1526	2686	2833	100
5.3859-6.164	0.2592	140	0.1697	2706	2846	100
6.164-7.7611	0.198	134	0.1706	2717	2851	100
7.7611-49.2079	0.1601	143	0.1459	2740	2883	96

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	5.8365	-2.6716	-2.0351	2.6964	1.3112	3.1828	-0.0581	-0.2244	0.1022	0.1595	0.1965	-0.2103	0.1018	0.2549	-0.0893	0.4175	-0.0622	-0.0526	0.2833	-0.0145	0.3411	-25.8705	34.8203	48.2
2	7.688	-1.4845	-2.711	0.7552	1.1698	2.2078	0.064	0.5509	1.0935	-0.2957	0.3434	-0.3238	-0.4441	0.2055	-0.508	0.4655	-0.1615	-0.0014	0.4639	0.0055	0.6119	-11.8792	36.3334	36.2943
3	5.9366	0.9042	0.6964	2.4945	0.7521	5.0464	-0.2523	0.5891	-0.0088	-0.2883	0.2015	-0.1717	-0.0994	0.5157	0.0521	0.3412	-0.032	-0.0307	0.3681	0.0157	0.3653	-14.525	28.4299	30.3071
4	0.5001	0.7429	0.2029	5.312	1.0227	-0.0046	0.1327	-0.0416	-0.1225	0.0009	-0.1576	0.1943	0.1089	-0.0811	0.0349	0.3079	-0.0204	-0.0137	0.2896	-0.0107	0.2549	-29.1547	52.1728	47.3294
5	7.715	1.7414	-4.2612	2.4565	-0.1011	6.2753	0.475	0.9857	-0.2892	-1.1527	-0.1161	0.6468	-0.3345	-0.9284	0.0369	0.5473	0.0574	-0.1106	0.3683	-0.0792	0.3528	-33.2682	64.3583	45.6832
6	2	2.0001	1.9999	2	2	2	0.9308	-0.3198	-3.501	2.9718	2.4611	2.6328	7.8024	-0.6497	-3.3902	0.9724	0.277	0.1452	1.0936	0.2411	1.2218	-35.9508	68.806	39.28
7	5.6459	-2.8093	-1.2383	2.358	1.1005	1.9111	0.1492	0.7482	0.1463	-0.2504	-0.0425	-0.4672	-0.0158	-0.1655	-0.1143	0.4413	-0.0826	0.0209	0.436	-0.0316	0.4152	-15.4404	67.6652	26.7329
8	6.8588	1.4271	-0.4824	4.3945	1.4357	2.5768	-0.0964	0.1738	-0.3785	-0.3196	0.0887	-0.0377	0.2089	-0.1733	-0.0061	0.4179	-0.0444	-0.013	0.345	0.0596	0.3131	-17.2157	56.1767	28.1904
9	0.6721	0.3095	-0.5977	4.5816	-3.203	4.85	0.3108	0.0088	0.124	0.3318	-0.1149	-0.0362	-0.5928	0.0865	-0.1998	0.459	0.0215	0.0394	0.3487	0.0163	0.308	-29.2866	84.7748	18.8084
10	6.0716	-1.9552	-3.5123	9.402	-1.9354	3.2509	0.4946	0.3322	-0.1077	-0.4819	0.1537	0.2731	-0.9386	-1.3266	-0.5749	0.6704	0.0565	-0.0916	0.5817	0.1072	0.3482	-33.0827	90.9727	7.8853
11	3.7608	-1.0239	1.8838	1.0036	-1.9798	3.3904	-0.0728	0.4526	-0.2047	-0.0282	-0.118	-0.1758	0.0219	0.418	0.2647	0.4155	-0.0017	0.0572	0.6002	0.0175	0.4236	-19.1664	81.0072	-7.0444
12	5.1417	0.8757	-1.2237	2.2246	0.0225	1.1834	-0.1108	-0.1259	-0.305	0.1168	-0.024	-0.1012	0.1613	0.0306	0.1162	0.4444	-0.036	0.0284	0.5713	0.0646	0.378	-13.7233	70.1213	2.5916
13	0.4925	0.3688	-0.8109	0.6475	-0.6978	5.7616	-0.0292	-0.1812	-0.0709	0.0602	0.004	0.054	-0.1015	-0.4473	-0.0098	0.3032	0.0319	0.0195	0.2911	0.0542	0.2913	-29.6474	80.6659	-25.9243
14	0.7101	0.6506	-0.3416	1.3588	-0.7963	0.4688	0.0572	0.0409	-0.2647	0.0449	-0.0583	0.15	0.232	-0.0873	-0.039	1.4218	-0.7844	0.0105	0.7163	-0.3102	1.271	-35.4264	68.8284	-38.9167
15	4.5818	1.2197	1.9475	2.2896	1.0997	3.3796	-0.0238	0.1848	-0.5329	0.0493	0.16	-0.0281	0.2773	0.5614	-0.1062	0.3814	0.0525	0.0532	0.3188	0.016	0.3571	-19.289	58.9993	-37.615
16	6.657	-0.5691	-1.0983	1.793	-1.0737	3.2265	-0.1489	-0.3685	-0.1632	0.1569	0.0051	-0.0632	0.2686	0.4249	0.127	0.3831	0.019	0.0512	0.3512	-0.0057	0.355	-13.7697	59.8208	-23.0502
17	0.4979	0.105	0.2842	5.9961	3.5157	2.3546	0.1644	0.1592	0.0682	-0.3593	-0.0938	0.032	-0.2912	0.1399	-0.0356	0.4302	-0.0052	-0.0102	0.347	0.0235	0.3804	-29.2684	46.0749	-48.8898
18	8.2158	-2.9693	1.2057	8.7802	5.0248	4.6848	0.2161	0.3768	-0.4797	-0.0548	-0.072	0.658	1.2409	-1.1838	0.2717	0.6385	-0.033	-0.0844	0.3227	-0.0108	0.3365	-33.326	33.9067	-52.4978
19	4.5283	-1.2112	0.902	2.0001	8.3058	5.7917	-0.2073	-0.1839	0.0399	0.4034	0.0736	-0.3692	0.2582	0.2529	-0.1805	1.8037	0.5323	0.3681	0.849	0.0491	0.8715	-32.0478	29.6704	-45.254
20	4.8078	2.5493	0.6871	3.4991	1.5734	1.6936	0.0808	-0.1644	-0.3442	0.1216	0.1207	-0.4971	0.1673	0.1859	-0.2176	0.3422	0.0692	0.0104	0.346	-0.0307	0.4659	-19.2207	21.6674	-39.8314
21	6.1202	-0.8097	-1.6531	1.0725	1.23	2.304	-0.1007	-0.4119	0.1178	0.2464	0.2881	-0.1515	0.0098	0.164	-0.1822	0.4412	0.0411	0.0521	0.3857	-0.0301	0.5078	-13.718	33.3605	-31.2096
22	0.8523	-1.1328	0.0178	3.5623	-1.5432	0.966	0.0957	0.1164	0.0366	-0.2101	-0.0364	0.0403	0.0499	-0.0559	-0.0547	0.3512	0.0012	0.0144	0.3764	-0.0514	0.3069	-29.1313	4.8962	-36.6199
23	4.1742	0.1377	5.1228	2.8323	-0.5287	6.444	-0.0777	-0.549	-0.4101	0.3161	0.3372	0.4779	-0.0824	-1.0597	-0.1166	0.652	-0.088	0.075	0.4694	-0.0124	0.3905	-33.1993	-5.455	-29.7576
24	2	2	-9.7193	2	-0.5801	1.9999	-0.1288	0.4268	-1.0357	-0.1281	-0.5056	-0.2061	-0.9627	-2.2111	0.7459	1.5244	-0.231	-0.326	1.6279	-0.2826	0.8221	-37.7263	-6.8856	-18.8742
25	5.2748	1.8835	-0.6958	2.6462	-0.9632	1.3717	-0.002	-0.6681	0.1394	0.3313	-0.2632	-0.2245	-0.01	0.2151	0.261	0.4268	0.0327	-0.0266	0.4741	-0.0122	0.3551	-19.3386	-3.6689	-11.9624
26	5.2253	-1.4765	0.2473	3.7552	0.6457	1.7591	-0.1049	-0.0145	0.4944	0.2589	-0.0752	-0.4241	-0.2048	0.0908	0.1746	0.4031	0.0163	-0.0167	0.3837	0.0445	0.3632	-13.8393	10.3981	-15.8713
27	1.6233	-0.8056	1.1484	1.6783	-1.7314	5.0493	0.0362	0.0656	-0.0854	0.1035	0.0453	0.0105	0.1898	-0.1237	-0.089	0.3855	-0.0406	-0.0002	0.3272	-0.0438	0.2784	-29.9089	-11.8785	5.194
28	2.4748	-0.3328	-1.3771	5.0352	1.173	7.5087	-0.0265	0.2639	0.0063	0.0467	-0.1093	0.0976	0.4903	0.3495	0.1524	0.3	0.0325	-0.0202	0.3446	0.0277	0.393	-25.9176	-2.2191	27.4842
29	8.2593	1.924	-2.7091	2.7842	-0.3916	3.2665	0.0768	-0.765	1.2188	0.2059	0.0352	0.4553	-0.4429	0.593	0.0616	0.3593	-0.0196	-0.0525	0.5309	-0.0305	0.4411	-13.52	6.8261	22.7848
30	9.2563	3.321	-3.0347	2.7769	-1.1114	4.0019	-0.1604	0.0474	1.2062	-0.0139	0.0588	0.2887	-0.9682	-0.2369	-0.1858	0.5784	-0.0576	-0.15	0.5782	0.099	0.6688	-1.268	15.449	13.6839
31	8.6863	-2.9233	1.8746	6.7477	-3.2028	7.8712	0.3619	0.5148	0.3754	-0.2851	-0.2912	-0.0174	-0.5704	0.5478	-0.0726	0.3226	0.0128	-0.0475	0.4867	0.0361	0.4035	-15.2951	7.5036	11.928
32	7.3035	0.2761	-0.3735	3.9582	-0.5592	0.3951	-0.4321	0.1274	0.1541	-0.4391	0.0763	-0.3547	0.1483	0.4772	0.3786	0.5371	-0.0472	-0.0644	0.7484	0.028	0.3342	-7.3686	4.0605	11.2167
33	5.566	1.7488	3.8495	6.5548	-3.4678	9.4451	-0.152	0.2495	0.1938	-0.4753	-0.0967	0.4703	-0.3964	0.2279	0.2698	0.3927	0.0719	-0.0582	0.5763	-0.0831	0.4332	-27.5462	7.7163	9.373
34	0.4695	0.2778	1.067	2.0676	2.3291	3.406	-0.0601	0.2565	0.2007	0.1431	-0.1044	0.1355	0.0537	0.0557	-0.1003	0.3721	-0.0103	-0.0186	0.2861	0.0359	0.3071	-27.3629	5.6	36.4678
35	1.7331	0.5336	0.9986	2.0952	2.3001	2.5189	0.0875	-0.1563	-0.2547	0.111	-0.026	0.0831	-0.0336	-0.4317	0.116	0.2807	-0.0173	-0.0188	0.2524	0.046	0.3042	-30.7213	13.9159	43.9755
36	6.7097	1.7423	1.4849	6.522	-0.0406	2.5747	-0.3033	0.1677	-0.4006	1.2787	0.183	1.2844	-1.3843	-0.892	0.18	0.4962	0.1244	0.0851	0.4694	0.0361	0.2808	-33.5486	18.8654	48.4794
37	1.76	1.0246	1.073	4.2892	4.2518	4.2173	1.2549	-0.5571	2.3646	0.4452	0.0473	-0.1981	-3.0408	-0.4581	-1.3164	1.1475	0.4918	0.6563	0.9282	0.1533	0.833	-34.987	26.237	43.0375

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 130 THROUGH 164 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 165 THROUGH 206 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 207 THROUGH 292 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 293 THROUGH 361 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 362 THROUGH 374 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 375 THROUGH 375 )
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESID 130 THROUGH 221 )
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESID 222 THROUGH 293 )
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESID 294 THROUGH 360 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 361 THROUGH 374 )
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESID 130 THROUGH 201 )
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 202 THROUGH 292 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 293 THROUGH 374 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 375 THROUGH 377 )
15	X-RAY DIFFRACTION	15	CHAIN D AND (RESID 130 THROUGH 201 )
16	X-RAY DIFFRACTION	16	CHAIN D AND (RESID 202 THROUGH 292 )
17	X-RAY DIFFRACTION	17	CHAIN D AND (RESID 293 THROUGH 361 )
18	X-RAY DIFFRACTION	18	CHAIN D AND (RESID 362 THROUGH 374 )
19	X-RAY DIFFRACTION	19	CHAIN D AND (RESID 375 THROUGH 375 )
20	X-RAY DIFFRACTION	20	CHAIN E AND (RESID 130 THROUGH 201 )
21	X-RAY DIFFRACTION	21	CHAIN E AND (RESID 202 THROUGH 292 )
22	X-RAY DIFFRACTION	22	CHAIN E AND (RESID 293 THROUGH 361 )
23	X-RAY DIFFRACTION	23	CHAIN E AND (RESID 362 THROUGH 374 )
24	X-RAY DIFFRACTION	24	CHAIN E AND (RESID 375 THROUGH 375 )
25	X-RAY DIFFRACTION	25	CHAIN F AND (RESID 130 THROUGH 201 )
26	X-RAY DIFFRACTION	26	CHAIN F AND (RESID 202 THROUGH 292 )
27	X-RAY DIFFRACTION	27	CHAIN F AND (RESID 293 THROUGH 374 )
28	X-RAY DIFFRACTION	28	CHAIN G AND (RESID 130 THROUGH 164 )
29	X-RAY DIFFRACTION	29	CHAIN G AND (RESID 165 THROUGH 201 )
30	X-RAY DIFFRACTION	30	CHAIN G AND (RESID 202 THROUGH 221 )
31	X-RAY DIFFRACTION	31	CHAIN G AND (RESID 222 THROUGH 249 )
32	X-RAY DIFFRACTION	32	CHAIN G AND (RESID 250 THROUGH 271 )
33	X-RAY DIFFRACTION	33	CHAIN G AND (RESID 272 THROUGH 292 )
34	X-RAY DIFFRACTION	34	CHAIN G AND (RESID 293 THROUGH 324 )
35	X-RAY DIFFRACTION	35	CHAIN G AND (RESID 325 THROUGH 361 )
36	X-RAY DIFFRACTION	36	CHAIN G AND (RESID 362 THROUGH 374 )
37	X-RAY DIFFRACTION	37	CHAIN G AND (RESID 375 THROUGH 375 )

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