PDB-6chv: Proteus vulgaris HigA antitoxin bound to DNA

ID or keywords:

Entry

Database: PDB / ID: 6chv

Title

Proteus vulgaris HigA antitoxin bound to DNA

Components

Antitoxin HigA
pHigCryst3
pHigCryst4

Keywords

ANTITOXIN/DNA / Helix-turn-helix DNA binding protein / DNA-protein complex / toxin-antitoxin systems / ANTITOXIN / ANTITOXIN-DNA complex

Function / homology

Function and homology information

toxin sequestering activity / transcription cis-regulatory region binding / DNA-binding transcription factor activity / protein heterodimerization activity / regulation of DNA-templated transcription
Similarity search - Function

Biological species

Proteus vulgaris (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.9 Å

Authors

Schureck, M.A. / Hoffer, E.D. / Onuoha, N. / Dunham, C.M.

Citation

Journal: Mol.Microbiol. / Year: 2019
Title: Structural basis of transcriptional regulation by the HigA antitoxin.
Authors: Schureck, M.A. / Meisner, J. / Hoffer, E.D. / Wang, D. / Onuoha, N. / Ei Cho, S. / Lollar 3rd, P. / Dunham, C.M.

History

Deposition	Feb 23, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 27, 2019	Provider: repository / Type: Initial release
Revision 1.1	Mar 13, 2019	Group: Data collection / Database references Category: citation / citation_author ...citation / citation_author / pdbx_database_proc / pdbx_seq_map_depositor_info Item: _citation.journal_abbrev / _citation.pdbx_database_id_DOI ..._citation.journal_abbrev / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name / _pdbx_seq_map_depositor_info.one_letter_code_mod
Revision 1.2	Apr 17, 2019	Group: Author supporting evidence / Data collection / Category: pdbx_audit_support
Revision 1.3	Jun 26, 2019	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.journal_abbrev / _citation.journal_volume ..._citation.journal_abbrev / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.name
Revision 1.4	Oct 4, 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	6chv.cif.gz	366 KB	Display	PDBx/mmCIF format
PDB format	pdb6chv.ent.gz	295.9 KB	Display	PDB format
PDBx/mmJSON format	6chv.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6chv_validation.pdf.gz	499.2 KB	Display	wwPDB validaton report
Full document	6chv_full_validation.pdf.gz	501.6 KB	Display
Data in XML	6chv_validation.xml.gz	23.6 KB	Display
Data in CIF	6chv_validation.cif.gz	33.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ch/6chv ftp://data.pdbj.org/pub/pdb/validation_reports/ch/6chv	HTTPS FTP

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Related structure data

Related structure data	6cf1C 4mctS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5dgh-d 3t7a-d 3t9a-d 1qiw-d 4q4d-d 3t54-d 3e79-d 4d1c-d 3t9b-d 5iha-d 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

6cf1C

4mctS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
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PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: Antitoxin HigA

C: Antitoxin HigA

I: pHigCryst3

J: pHigCryst4

B: Antitoxin HigA

D: Antitoxin HigA

E: pHigCryst3

F: pHigCryst4

G: Antitoxin HigA

H: Antitoxin HigA

K: pHigCryst3

L: pHigCryst4

hetero molecules

118 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Antitoxin HigA

C: Antitoxin HigA

I: pHigCryst3

J: pHigCryst4

hetero molecules

defined by author
Evidence: gel filtration
39.3 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Antitoxin HigA

D: Antitoxin HigA

E: pHigCryst3

F: pHigCryst4

hetero molecules

defined by author
Evidence: gel filtration
39.3 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

G: Antitoxin HigA

H: Antitoxin HigA

K: pHigCryst3

L: pHigCryst4

hetero molecules

defined by author
Evidence: gel filtration
39.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	79.449, 79.449, 399.427
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	170
Space group name H-M	P6₅

#1: Protein	Antitoxin HigA / Antidote protein / Host inhibition of growth protein A Mass: 13213.810 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Proteus vulgaris (bacteria) / Gene: higA / Production host: Escherichia coli (E. coli) / References: UniProt: Q7A224
#2: DNA chain	pHigCryst3 Mass: 6390.175 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Proteus vulgaris (bacteria)
#3: DNA chain	pHigCryst4 Mass: 6492.219 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Proteus vulgaris (bacteria)
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 99 / 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: 3.37 Å³/Da / Density % sol: 63.51 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.2 M CaCl2 and 10-25% w/v PEG 3,350

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-ID / Wavelength: 1 Å

Detector

Type: RAYONIX MX300-HS / Detector: CCD / Date: Feb 22, 2016

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 2.9→40.41 Å / Num. obs: 76031 / % possible obs: 100 % / Redundancy: 13.8 % / B_iso Wilson estimate: 61 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.127 / R_pim(I) all: 0.035 / R_rim(I) all: 0.132 / Net I/σ(I): 11.1

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
2.9-3.06	13.8	0.389	4673	0.987	0.109	0.404	100
9.17-40.41	12.8	0.062	1020	0.999	0.019	0.065	98.9

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Processing

Software

Name	Version	Classification
xia2	0.5.474	data reduction
DIALS	1.8.1	data reduction
Aimless	0.6.2	data scaling
PHENIX		phasing
PHASER		phasing
PHENIX	1.13-2998	refinement
Coot	0.8.9	model building
PDB_EXTRACT	3.24	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4MCT

4mct

Resolution: 2.9→39.724 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 34.96

	R_factor	Num. reflection	% reflection
R_free	0.2601	1588	4.94 %
R_work	0.2248	-	-
obs	0.2265	76031	98.21 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 178.97 Å² / B_iso mean: 91.3467 Å² / B_iso min: 35.74 Å²

Refinement step

Cycle: final / Resolution: 2.9→39.724 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4074	2565	6	99	6744
B_iso mean	-	-	87.86	63.47	-
Num. residues	-	-	-	-	659

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 27

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.7001-2.7343	0.3725	144	0.399	2720	2864	98
2.7343-2.7702	0.4524	134	0.3673	2615	2749	98
2.7702-2.8082	0.3501	140	0.3685	2701	2841	98
2.8082-2.8483	0.3453	148	0.3539	2671	2819	99
2.8483-2.8908	0.3209	119	0.3397	2705	2824	99
2.8908-2.9359	0.3691	169	0.3381	2705	2874	98
2.9359-2.9841	0.3688	116	0.3164	2671	2787	99
2.9841-3.0355	0.3589	139	0.3097	2638	2777	98
3.0355-3.0907	0.3026	128	0.3244	2727	2855	98
3.0907-3.1501	0.3814	159	0.2939	2623	2782	98
3.1501-3.2144	0.3265	138	0.3082	2607	2745	97
3.2144-3.2842	0.3514	196	0.2724	2598	2794	96
3.2842-3.3606	0.2632	161	0.2412	2522	2683	95
3.3606-3.4446	0.2279	127	0.2431	2751	2878	97
3.4446-3.5377	0.3371	94	0.248	2646	2740	99
3.5377-3.6417	0.3091	148	0.2579	2658	2806	96
3.6417-3.7591	0.2941	122	0.2375	2645	2767	97
3.7591-3.8934	0.295	160	0.2424	2634	2794	99
3.8934-4.0491	0.2621	158	0.2088	2679	2837	99
4.0491-4.2332	0.1973	124	0.1801	2733	2857	100
4.2332-4.4561	0.247	164	0.1866	2701	2865	99
4.4561-4.7349	0.2205	106	0.1839	2730	2836	99
4.7349-5.0998	0.238	162	0.1887	2686	2848	99
5.0998-5.6117	0.2411	129	0.1821	2727	2856	100
5.6117-6.4208	0.1654	128	0.1744	2708	2836	100
6.4208-8.0783	0.176	120	0.1909	2796	2916	100
8.0783-39.7286	0.2076	123	0.1721	2678	2801	98

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	7.1863	-1.951	-0.0928	5.8402	-0.2713	2.7415	0.3675	1.3975	0.3422	-0.1093	-0.2588	-0.78	0.2846	1.761	-0.2262	1.045	0.0349	0.222	0.9621	-0.0574	0.7212	16.2074	-34.1175	-60.6546
2	5.4082	-4.6616	5.3987	6.8014	-4.7117	5.3991	0.6218	2.3787	-0.9316	-2.1192	-0.4325	-0.159	1.5563	1.303	-0.1977	1.0837	0.0899	0.0966	0.9518	-0.0098	0.5707	7.8245	-36.7814	-73.1172
3	0.7077	1.405	-0.9081	3.2175	-0.5897	6.985	0.3817	1.3301	0.5053	-0.4994	-0.0221	-0.1219	0.0185	-0.8809	-0.2551	0.9413	0.187	0.1305	1.1465	0.1261	0.4971	3.6582	-25.8608	-71.9493
4	5.0938	3.0866	-1.1324	3.3603	-3.6532	7.7701	0.6832	1.3719	0.0753	-0.4388	0.4963	0.6164	0.4047	-0.9897	-0.8385	0.7918	-0.0636	-0.0066	1.3032	0.0802	0.3484	-4.3532	-33.2718	-67.6554
5	8.275	-0.9304	6.3465	4.8137	-0.2539	6.014	0.8268	0.3371	-0.4447	-0.0884	-0.1003	-0.3597	0.8976	0.0606	-0.6028	0.9284	0.0644	0.0871	0.7209	-0.0655	0.3949	4.5169	-35.6854	-56.1854
6	8.6204	-0.792	-5.246	6.1426	-0.8487	3.5425	0.1739	-1.2887	-0.2609	1.4699	0.2366	-0.054	0.8213	1.0422	-0.4328	1.1942	0.1171	-0.1664	0.8027	-0.171	0.5387	6.0686	-35.4309	-35.3627
7	8.7341	5.7477	5.5675	6.6076	5.561	4.8318	0.4614	-0.4889	-0.0013	1.766	-0.5638	0.7454	1.1681	-0.6213	-0.4159	1.7214	-0.278	0.3652	1.163	0.0665	0.9365	-16.4602	-35.1736	-50.4766
8	9.4425	-0.6741	-1.7452	1.833	-1.007	6.6698	-0.0132	-0.6782	0.0282	0.6525	-0.1372	0.1522	0.2169	-0.6833	0.0824	1.1257	-0.0072	0.1922	0.6502	0.0025	0.4341	-6.8702	-29.498	-36.6622
9	7.7223	-5.5965	-3.4174	8.1331	5.6696	4.0358	0.3619	-0.7525	-0.2258	0.3618	0.041	0.4781	0.301	0.4891	-0.3582	0.7587	0.0784	-0.0278	0.5191	-0.0736	0.3252	1.1242	-35.3934	-41.4904
10	2.6028	0.2969	-1.3682	2.1571	1.9572	3.5902	0.6516	1.0597	0.0785	0.0302	-0.3356	0.5296	0.3962	-1.7352	-0.3065	0.8031	0.004	0.0327	1.0979	0.0904	0.513	-8.5511	-32.978	-59.6079
11	0.7026	0.5279	0.4038	1.8649	-1.6842	2.8109	0.2464	0.7534	0.7034	-0.354	0.0978	0.1835	-0.7704	-0.3187	-0.3141	1.2899	0.0535	0.399	1.3425	0.2555	0.5743	10.935	-20.8949	-77.7186
12	2.5532	1.7423	-0.1864	3.4466	0.2345	0.0659	0.6837	0.6341	1.148	-0.1392	0.6482	-0.0275	-1.6461	-0.367	-0.608	1.8286	0.1192	0.5594	1.0033	0.1523	0.815	1.4719	-13.7293	-55.2148
13	7.2543	0.4534	-0.7407	3.4297	-2.2693	2.08	0.6336	-1.0359	1.7646	1.4073	0.4696	0.5139	-1.8152	-0.5552	-0.9994	2.0626	0.1888	0.5577	1.0975	-0.1363	0.9153	-8.2378	-12.1142	-30.4694
14	3.7273	-1.577	2.5645	3.062	-1.1181	3.757	0.5179	-0.1285	0.5137	-0.0628	-0.1282	-0.1506	0.5531	0.1612	-0.359	1.3538	0.0598	0.323	1.0641	-0.0455	0.5609	-10.6455	-20.2464	-30.3577
15	9.3112	-2.7501	2.3651	7.63	-0.0276	4.1794	-1.0739	0.8062	0.6321	-0.0236	1.2949	-0.8282	-1.7749	-0.4933	-0.0644	2.199	0.0197	0.6066	0.9235	0.001	1.0474	-1.6273	-9.8525	-44.1655
16	2.9625	0.5228	-2.361	6.3697	-3.1252	3.0772	1.2945	-0.0128	1.2639	0.5624	-0.1125	0.2444	-1.7946	-0.6365	-1.0094	1.4166	0.1787	0.3692	1.0528	0.0786	0.6908	3.4078	-17.7875	-60.0511
17	8.7129	-1.9248	-3.8875	3.6476	4.7495	6.4614	0.5361	0.5712	1.6176	-0.8817	0.973	-0.6373	-1.5563	0.5453	-0.851	1.9092	0.0456	0.6068	1.3682	0.2431	0.9292	10.8101	-12.3991	-76.9059
18	2.641	2.8515	-3.9917	7.9813	-4.6073	6.3291	0.7648	0.0632	-0.0389	-0.4747	0.462	0.6859	1.5148	-0.4422	-0.8311	0.9652	0.2183	-0.1196	0.7423	0.019	0.4217	5.1061	-56.3429	-55.4373
19	1.2987	2.1709	-0.5843	7.1885	3.5914	6.1799	-0.1408	1.0897	-0.3426	-0.5371	0.6906	-0.6532	-0.4233	1.2956	-0.3756	0.8394	0.331	-0.1237	1.08	-0.1889	0.3944	15.8604	-52.8793	-65.2621
20	1.0556	-1.7047	0.1326	5.0337	2.5605	3.3676	0.2127	-0.3418	-0.1598	0.6044	0.1795	-0.4871	1.1018	1.0397	-0.215	0.7965	0.2784	-0.141	0.6839	-0.1621	0.4303	18.1363	-58.0946	-57.1452
21	6.817	-5.4041	-2.0916	9.2406	0.8464	0.7828	0.1882	-0.1974	-0.2683	0.6744	0.1579	-0.9948	1.1903	0.5529	-0.5378	0.9729	0.3314	-0.1581	0.6085	-0.1024	0.4537	15.997	-57.5664	-49.3324
22	4.2581	-2.1267	-5.2528	7.3227	4.5729	7.1494	0.8346	0.1822	-0.0008	-0.5529	-0.1524	-0.1412	0.2901	0.5387	-0.7879	0.7359	0.0799	-0.074	0.6291	-0.096	0.3323	13.8464	-45.7984	-54.2497
23	5.5158	-1.6669	2.0027	9.7274	-6.6384	4.8	-0.0401	-0.263	-0.5138	0.7234	0.8483	-0.3344	0.3506	-1.3424	-0.9489	1.0178	0.1873	-0.1747	0.9759	-0.0968	0.4397	8.5771	-52.056	-43.5719
24	7.255	-2.813	-3.0362	6.9162	5.8372	8.5625	0.2644	-0.5732	-0.586	1.1393	-0.8117	0.5191	1.4523	-1.4712	0.339	1.2673	-0.1441	-0.1218	0.9678	0.0921	0.5876	8.6094	-56.491	-23.7697
25	3.226	-0.336	-4.0042	2.7441	2.7908	7.8907	0.326	-0.6142	0.9867	0.2472	-0.6843	-0.1272	-1.9921	0.2623	0.0149	1.3653	0.152	-0.1864	0.9175	-0.1417	0.6147	17.849	-38.4271	-26.3157
26	6.7241	1.5549	0.2161	4.0653	-0.054	1.4837	0.2569	-0.59	-0.0545	0.7239	-0.2952	-0.47	0.5151	-0.2868	-0.0845	1.0875	0.0632	-0.2099	0.8095	-0.1159	0.4689	21.8023	-49.7684	-23.533
27	4.3713	0.273	3.0686	6.7285	-4.2323	5.063	0.7001	-1.6499	-0.0723	1.0731	0.4557	0.2175	0.6191	-0.7247	-0.8732	0.8965	0.0185	-0.0944	0.8691	-0.0401	0.4881	11.1978	-50.8685	-27.9156
28	3.9463	0.9823	-1.0285	1.3222	-2.5529	5.2758	0.0449	0.389	0.5729	0.3903	0.2683	-0.1287	-0.5562	-0.3402	-0.2922	1.1948	0.2522	-0.0493	0.6899	-0.1277	0.42	14.4053	-43.2296	-37.7677
29	8.7021	1.7427	4.1365	1.9419	-1.5417	8.044	0.6962	-1.0106	1.5092	0.7633	-0.47	-0.5114	-1.4475	0.5472	-0.2987	0.8346	0.0368	0.0841	1.0122	-0.1391	0.6095	21.6675	-39.8306	-54.8919
30	8.3467	-4.8216	2.6014	3.7804	-0.3342	2.7282	0.6014	3.2397	-0.7304	-2.9367	0.4337	2.0811	1.1492	-1.1142	-1.2332	1.3108	-0.1262	-0.2232	1.4341	0.0436	0.9409	7.2802	-44.7318	-67.8234
31	1.0507	0.9449	0.6976	1.1238	0.0947	3.0949	0.6362	-0.027	-0.4498	0.3317	0.7955	-0.7787	1.2224	1.2749	0.1253	1.5554	0.6279	-0.4038	1.3869	-0.5294	0.6331	24.5101	-64.6827	-57.9431
32	3.7221	-1.1701	-1.4582	4.4367	1.7162	0.9806	0.866	0.0655	-0.2561	0.1977	0.1962	-1.0459	0.3678	1.0118	0.0579	1.5588	0.1894	-0.4503	1.2169	-0.2959	0.6772	32.8006	-54.3086	-25.9275
33	1.8273	0.4242	0.8772	0.9679	-0.5541	1.1059	0.0814	-0.4402	-0.1851	0.0336	0.1685	-0.4986	0.5082	0.0076	0.1163	1.9452	0.1599	-0.7248	1.0133	-0.2695	-0.1716	30.5632	-47.6861	-17.6765
34	2.9704	-0.2898	0.7044	1.1626	1.0893	4.3827	0.8036	-0.1409	-0.4092	0.4434	0.4542	-0.6061	0.6978	0.6771	0.7403	1.6402	0.5651	-0.626	1.391	-0.4549	0.7517	29.888	-59.6032	-40.0445
35	2.8359	1.5338	2.3736	1.6386	1.0927	2.0438	0.7062	0.1661	-0.7637	-0.4371	0.191	-0.5643	1.225	0.8783	-0.0986	1.6933	0.6399	-0.4549	1.522	-0.6583	0.8592	25.3391	-68.2668	-64.7812
36	3.1015	0.2903	-3.0786	3.2597	-1.4289	3.5723	0.4576	0.794	0.0761	-1.1182	-0.6656	-0.0953	0.2113	1.3487	0.2051	1.1293	0.1518	-0.1302	1.618	0.2348	0.5746	-16.633	-50.962	-85.5291
37	3.571	0.7195	-1.7853	5.567	4.2989	9.7002	0.1513	1.0273	0.3358	-0.5708	0.2982	-0.4304	-0.0338	2.0366	-0.2612	0.919	0.1657	-0.0566	1.6101	0.2925	0.6032	-9.9509	-52.8996	-74.6912
38	8.4805	0.1727	-1.4157	8.1179	5.3046	6.8787	0.294	-1.4668	0.519	0.9421	0.2822	0.2297	0.2115	0.7503	-0.4991	0.8327	-0.127	-0.0119	0.6735	0.1129	0.7521	-6.4483	-48.0954	-46.963
39	3.9895	-1.909	2.4362	5.8065	-1.4058	1.5055	1.2242	-0.5216	-0.652	0.539	-0.7151	-0.533	3.6842	1	-0.3986	1.3867	-0.0531	-0.2221	0.9657	0.1765	0.6084	-4.0306	-65.0336	-52.7595
40	6.8321	-1.2429	-0.8291	6.6966	-0.5043	0.2307	0.1476	-0.1296	-0.0672	0.5946	-0.0853	0.1423	0.7514	-0.636	-0.2192	0.9179	-0.1378	-0.158	0.9311	0.2026	0.487	-14.1761	-60.2983	-50.414
41	1.9961	2.1682	-3.7448	7.9382	-1.1742	9.0254	0.4458	0.1085	0.3487	0.6686	0.1297	0.3334	0.4797	0.1738	-0.5426	0.6464	-0.1101	-0.0518	0.5906	0.1619	0.3854	-7.9481	-52.2487	-56.1017
42	4.7976	5.2844	4.7597	6.3227	5.6554	5.1628	0.3635	1.6774	-0.5192	-0.5328	0.358	-0.4279	1.3502	1.7402	-0.8299	1.0855	0.1784	-0.2131	1.4503	0.0627	0.5834	-6.1995	-59.481	-65.6887
43	8.3455	5.154	-5.5878	8.7205	-6.5754	5.4887	-0.9226	0.1595	-0.2747	-1.0059	0.4667	-0.1418	2.5488	0.3338	0.4638	1.5519	0.2606	-0.1347	1.2052	-0.1872	0.8571	-10.6906	-65.9995	-83.892
44	2.5046	1.2309	-1.0669	2.3655	2.0003	4.2559	0.9421	-0.1191	-0.8626	-0.4553	-0.405	0.9974	0.2865	-0.1579	-0.2864	1.1624	0.0882	-0.3446	1.6759	0.3555	0.8564	-31.0336	-52.9846	-83.4266
45	3.5043	-0.4503	-1.2617	5.7265	-2.8177	2.0525	0.6628	-0.4032	-0.8152	0.4975	0.4196	0.8925	0.9637	-1.1386	-0.9483	1.3956	-0.3984	-0.2294	1.4176	0.3994	0.8546	-25.3509	-64.5829	-51.1445
46	6.5067	-1.9163	5.0286	0.6959	-0.8291	7.3764	0.8803	-0.7299	-0.9862	0.0395	0.3341	0.5579	0.2115	-0.9137	-1.025	1.3264	-0.2657	-0.2754	1.128	0.3087	0.7139	-17.997	-67.7762	-43.7668
47	1.6931	0.1397	-0.4494	4.6327	-3.6291	3.6637	0.9936	-0.2095	-0.5819	0.3101	0.3532	1.1401	0.9963	-1.9332	-1.2398	1.4124	-0.296	-0.2296	1.6708	0.4338	0.8863	-29.0315	-59.2132	-65.1344
48	6.2524	1.1035	-2.6564	7.8085	1.8263	3.7912	1.112	1.1862	-0.3708	-1.3366	0.7266	2.3331	0.3298	-1.2344	-1.4228	1.3495	-0.0573	-0.499	1.7123	0.4264	1.0972	-34.9504	-51.5403	-89.9908

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 4 through 9 )	A	4 - 9
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 10 through 20 )	A	10 - 20
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 21 through 49 )	A	21 - 49
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 50 through 63 )	A	50 - 63
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 64 through 81 )	A	64 - 81
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 82 through 92 )	A	82 - 92
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 4 through 8 )	C	4 - 8
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 9 through 49 )	C	9 - 49
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 50 through 63 )	C	50 - 63
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 64 through 91 )	C	64 - 91
11	X-RAY DIFFRACTION	11	chain 'I' and (resid 1 through 5 )	I	1 - 5
12	X-RAY DIFFRACTION	12	chain 'I' and (resid 6 through 15 )	I	6 - 15
13	X-RAY DIFFRACTION	13	chain 'I' and (resid 16 through 21 )	I	16 - 21
14	X-RAY DIFFRACTION	14	chain 'J' and (resid 1 through 5 )	J	1 - 5
15	X-RAY DIFFRACTION	15	chain 'J' and (resid 6 through 10 )	J	6 - 10
16	X-RAY DIFFRACTION	16	chain 'J' and (resid 11 through 15 )	J	11 - 15
17	X-RAY DIFFRACTION	17	chain 'J' and (resid 16 through 21 )	J	16 - 21
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 5 through 20 )	B	5 - 20
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 21 through 31 )	B	21 - 31
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 32 through 43 )	B	32 - 43
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 44 through 49 )	B	44 - 49
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 50 through 63 )	B	50 - 63
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 64 through 79 )	B	64 - 79
24	X-RAY DIFFRACTION	24	chain 'B' and (resid 80 through 92 )	B	80 - 92
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 5 through 20 )	D	5 - 20
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 21 through 49 )	D	21 - 49
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 50 through 63 )	D	50 - 63
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 64 through 78 )	D	64 - 78
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 79 through 88 )	D	79 - 88
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 89 through 95 )	D	89 - 95
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 1 through 10 )	E	1 - 10
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 11 through 21 )	E	11 - 21
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 1 through 5 )	F	1 - 5
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 6 through 15 )	F	6 - 15
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 16 through 21 )	F	16 - 21
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 6 through 49 )	G	6 - 49
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 50 through 81 )	G	50 - 81
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 82 through 96 )	G	82 - 96
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 7 through 20 )	H	7 - 20
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 21 through 49 )	H	21 - 49
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 50 through 63 )	H	50 - 63
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 64 through 77 )	H	64 - 77
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 78 through 92 )	H	78 - 92
44	X-RAY DIFFRACTION	44	chain 'K' and (resid 1 through 10 )	K	1 - 10
45	X-RAY DIFFRACTION	45	chain 'K' and (resid 11 through 21 )	K	11 - 21
46	X-RAY DIFFRACTION	46	chain 'L' and (resid 1 through 5 )	L	1 - 5
47	X-RAY DIFFRACTION	47	chain 'L' and (resid 6 through 15 )	L	6 - 15
48	X-RAY DIFFRACTION	48	chain 'L' and (resid 16 through 21 )	L	16 - 21

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