PDB-5bmz: Crystal Structure of Putative MarR Family Transcriptional Regulat...

ID or keywords:

Entry

Database: PDB / ID: 5bmz

Title

Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.

Components

DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')
HcaR protein

Keywords

TRANSCRIPTION / MarR / transcription factor / wHTH / Structural Genomics / PSI-Biology / Midwest Center for Structural Genomics / MCSG

Function / homology

Function and homology information

response to stress / DNA-binding transcription factor activity
Similarity search - Function

Biological species

Acinetobacter baylyi (bacteria)

Acinetobacter sp. ADP1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 3.001 Å

Authors

Kim, Y. / Joachimiak, G. / Biglow, L. / Cobb, G. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.
Authors: Kim, Y. / Joachimiak, G. / Biglow, L. / Cobb, G. / Joachimiak, A.

History

Deposition	May 25, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 14, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jan 1, 2020	Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5bmz.cif.gz	335.6 KB	Display	PDBx/mmCIF format
PDB format	pdb5bmz.ent.gz	286.4 KB	Display	PDB format
PDBx/mmJSON format	5bmz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5bmz_validation.pdf.gz	481.5 KB	Display	wwPDB validaton report
Full document	5bmz_full_validation.pdf.gz	494.2 KB	Display
Data in XML	5bmz_validation.xml.gz	23.8 KB	Display
Data in CIF	5bmz_validation.cif.gz	31.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bm/5bmz ftp://data.pdbj.org/pub/pdb/validation_reports/bm/5bmz	HTTPS FTP

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Related structure data

Related structure data	3k0l 4rgr 4rgs 4rgx
Similar structure data	3peu-d 6yz1-d 3pwn-2 1l2l-d 1qvo-2 5hgd-2 3pev-d 5na5-1 3vxn-d 3l3g-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: MCSG-APC105592

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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: HcaR protein

B: HcaR protein

E: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

F: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

C: HcaR protein

D: HcaR protein

G: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

H: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

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

1

A: HcaR protein

B: HcaR protein

E: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

F: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

defined by author&software
51.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: HcaR protein

D: HcaR protein

G: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

H: DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

defined by author&software
51.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	161.965, 161.965, 73.827
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	169
Space group name H-M	P6₁

#1: Protein	HcaR protein / Repressor protein Mass: 18366.490 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1) (bacteria) Strain: ATCC 33305 / BD413 / ADP1 / Gene: hcaR, ACIAD1728 / Plasmid: pMCSG19C / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) gold / References: UniProt: Q7X0D9
#2: DNA chain	DNA (5'-D(PGPAPAPTPAPTPCPAPGPTPTPAPAPAPCPTPGPAPTPAPTPTPC)-3') Mass: 7351.791 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Acinetobacter sp. ADP1* (bacteria)

#1: Protein

HcaR protein / Repressor protein

Mass: 18366.490 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1) (bacteria)
Strain: ATCC 33305 / BD413 / ADP1 / Gene: hcaR, ACIAD1728 / Plasmid: pMCSG19C / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) gold / References: UniProt: Q7X0D9

#2: DNA chain

DNA (5'-D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP*C)-3')

Mass: 7351.791 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.)

Acinetobacter sp. ADP1 (bacteria)

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.74 Å³/Da / Density % sol: 55.06 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 5.5, 40 % v/v (+/-)-2-Methyl-2,4-pentanediol, 0.02 M Hexammine cobalt(III) chloride

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Data collection

Diffraction

ID	Mean temperature (K)	Crystal-ID
1	100	1
2	100	1
3	100	1

Diffraction source

Source	Site	Beamline	ID	Wavelength (Å)
SYNCHROTRON	APS	19-ID	1	0.97924
SYNCHROTRON	APS	19-ID	2	0.9794
SYNCHROTRON	APS	19-ID	3	0.97159

Detector

Type	ID	Detector	Date
ADSC QUANTUM 315r	1	CCD	Jun 2, 2013
ADSC QUANTUM 315r	2	CCD	Jun 2, 2013
ADSC QUANTUM 315r	3	CCD	Jun 2, 2013

Radiation

ID	Monochromator	Protocol	Monochromatic (M) / Laue (L)	Scattering type	Wavelength-ID
1	double crystal monochromator	MAD	M	x-ray	1
2	double crystal monochromator	MAD	M	x-ray	2
3	double crystal monochromator	MAD	M	x-ray	3

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97924	1
2	0.9794	1
3	0.97159	1

Reflection

Resolution: 3→50 Å / Num. all: 22173 / Num. obs: 22173 / % possible obs: 99 % / Redundancy: 6.9 % / B_iso Wilson estimate: 90.18 Å² / R_sym value: 0.076 / Net I/σ(I): 31.5

Reflection shell

Resolution: 3→3.05 Å / Redundancy: 6.1 % / R_merge(I) obs: 0.758 / Mean I/σ(I) obs: 2.36 / % possible all: 98.3

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
PHENIX		phasing
Coot		model building
PHENIX	dev_1839	refinement
REFMAC		refinement

Refinement

Method to determine structure:

MAD / Resolution: 3.001→38.903 Å / SU ML: 0.53 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 42.32 / Stereochemistry target values: MLHL

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2939	992	4.72 %	random
R_work	0.2524	-	-	-
obs	0.2545	21002	94.05 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 173.4 Å²

Refinement step

Cycle: LAST / Resolution: 3.001→38.903 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4364	1888	0	0	6252

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	6540
X-RAY DIFFRACTION	f_angle_d	0.696	9252
X-RAY DIFFRACTION	f_dihedral_angle_d	21.656	2612
X-RAY DIFFRACTION	f_chiral_restr	0.027	1092
X-RAY DIFFRACTION	f_plane_restr	0.004	864

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 (%)
3.0007-3.1588	0.4467	133	0.4597	2383	X-RAY DIFFRACTION	80
3.1588-3.3566	0.347	139	0.3446	2676	X-RAY DIFFRACTION	88
3.3566-3.6156	0.3688	141	0.3126	2785	X-RAY DIFFRACTION	93
3.6156-3.9791	0.315	142	0.277	2978	X-RAY DIFFRACTION	98
3.9791-4.5541	0.2862	131	0.2488	3050	X-RAY DIFFRACTION	99
4.5541-5.7348	0.2943	134	0.2753	3058	X-RAY DIFFRACTION	100
5.7348-38.906	0.2677	172	0.2106	3080	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	0.0454	0.0549	-0.0421	0.0812	-0.0472	0.0485	-1.2136	-0.5029	-0.55	0.5531	-1.3793	-0.8862	-0.1414	0.7055	0.0091	1.0748	-0.163	0.0858	1.6346	-0.0233	1.3927	40.8828	37.3609	11.7789
2	3.0856	-0.6786	1.9317	0.7118	-0.557	1.1759	0.5581	-2.1522	0.14	0.2574	-0.294	-0.2453	-0.9166	-1.1869	0.0025	1.7571	-0.9391	0.0782	0.025	-0.3654	0.5009	20.2898	39.6411	10.5763
3	0.9158	-0.2087	-0.6534	0.425	0.2911	2.15	0.0216	0.3262	0.2289	-0.0863	-0.6841	1.3317	-0.9664	-1.9495	-0.0274	1.6065	-0.4061	0.0715	0.9527	0.0248	0.7545	11.3843	41.8028	-5.1649
4	0.285	-0.2511	0.2286	0.6518	0.2432	0.5662	0.8843	-0.4577	0.4798	-0.9591	-0.5556	0.2675	-0.5165	0.27	-0.0011	1.0174	-0.222	-0.0376	0.927	-0.1353	0.7195	12.6441	33.2117	-8.4319
5	0.0138	0.0109	0.0201	0.0379	-0.0128	0.0632	0.2317	0.9083	0.5707	-1.3378	-0.5679	1.5428	-0.0968	-0.604	-0.0054	1.3848	0.1047	-0.4351	1.1458	0.2288	1.5077	2.3406	40.3115	-10.0734
6	0.75	0.5294	0.7643	0.3837	0.552	0.7774	0.3684	3.0468	0.2424	0.1114	-0.5991	-2.0967	-0.031	1.2147	-0.0381	1.5778	0.3281	-0.187	1.7073	0.0193	1.1039	8.1653	38.3812	-19.694
7	1.0823	0.8595	-0.392	0.6888	-0.3398	0.1773	1.7068	-0.0951	1.8076	0.8556	-1.0444	1.8671	-2.0336	-0.5071	0.129	1.6789	0.0289	0.1066	1.0399	-0.1023	0.7594	12.7881	50.2454	4.5546
8	0.8176	-0.7367	0.2983	1.0814	0.4107	1.2756	-0.4398	0.1819	-0.5971	-1.2163	-1.8346	0.838	-0.3794	0.1473	-0.1876	1.548	-0.5477	0.4701	1.2245	0.2984	1.4028	32.064	47.3739	-0.1701
9	3.5047	1.2745	-0.9321	1.563	0.9032	1.886	-0.2922	-0.2509	-0.6149	-0.1777	0.0904	-0.946	-0.1864	0.1761	-0.0004	1.3271	-0.1506	-0.0377	0.7507	0.0767	0.9667	27.8256	29.5419	10.7788
10	0.0153	-0.3751	-0.1331	4.5361	1.1202	0.9241	-0.5542	-0.4857	0.6458	1.9987	0.5086	-0.6973	-0.4583	-0.1025	-0.0312	1.3029	0.1409	-0.3353	2.1474	0.5686	1.8553	32.5644	18.9373	27.9851
11	0.9178	-0.19	0.7451	1.6349	-0.471	0.6326	0.6471	-0.6367	0.2099	1.7789	0.6497	-1.0721	-1.6846	-0.9417	0.102	0.9137	-0.2243	0.2318	1.1543	0.5823	1.5116	37.2244	24.1354	15.9579
12	3.023	-0.5016	0.4964	0.207	0.0928	2.8431	-1.5421	0.0783	0.7258	0.4912	-0.7854	-0.6024	0.9782	-0.6413	-0.5149	1.9724	-0.497	0.5961	0.2465	0.0249	1.2116	35.4906	44.3852	8.2431
13	-0.0283	-0.0264	-0.0352	-0.0072	0.0155	-0.0026	-0.4922	0.8562	-0.655	0.0068	0.4668	-0.4348	0.8236	0.2034	-0.0013	1.6043	0.0678	0.2051	1.6409	-0.0021	0.9564	15.5492	25.3607	-22.345
14	0.0886	-0.1002	0.1181	0.0746	-0.0936	0.0944	-0.0776	0.1578	-1.227	0.062	0.0836	0.9226	0.8327	-0.4235	-0.0036	1.5324	-0.3994	-0.0004	1.5634	0.4549	1.4223	7.5788	20.0554	-6.9291
15	0.0759	0.1223	0.05	0.1502	0.0334	0.0194	-0.0499	-0.0609	-0.6436	-0.9067	1.7933	0.4854	0.2552	0.7898	0.0079	1.3011	-0.0361	-0.2768	1.011	-0.2831	1.0561	17.3651	22.7496	8.5609
16	0.0152	-0.0414	0.0848	0.1782	-0.0976	0.1558	0.8524	0.7471	-0.3385	1.5938	0.0284	0.5705	0.3952	-1.7975	0.0037	1.7118	-0.6018	0.1513	1.6646	0.1157	1.0236	9.1471	20.8075	25.2358
17	0.0051	0.006	0.0082	0.0278	0.0714	0.1779	0.569	0.8183	-1.5357	-0.5509	0.2763	-0.5183	-0.4853	-0.0581	0.0012	1.5839	0.0239	-0.1428	1.6298	-0.4787	1.4344	18.3517	18.8555	38.6179
18	0.1873	-0.5343	-0.152	1.3202	0.2592	0.366	-0.9226	-0.4053	1.3375	0.7035	-0.2481	-1.004	-1.0882	0.1468	-0.0126	2.5022	-0.0337	-0.4769	1.17	0.1295	0.9918	15.7999	26.2634	34.3533
19	0.0509	-0.11	-0.0084	0.245	0.0419	0.001	0.6332	-1.036	-1.381	0.8149	-0.385	1.1254	-0.003	0.1255	-0.0109	1.5992	-0.6551	-0.2656	1.3139	0.1504	1.0133	12.4246	17.0017	19.1267
20	0.7626	0.3263	-0.0362	0.7882	-0.1567	0.6874	0.7489	0.6632	-0.23	-0.6892	0.2936	0.4795	0.9046	-2.2033	0.0543	1.6112	-0.198	-0.0834	1.0297	-0.0903	0.8927	12.3317	21.8752	-5.4719
21	0.0139	-0.0312	0.0147	0.0835	-0.0721	0.1596	0.7825	-0.5813	-0.6438	-0.0892	0.2993	1.0155	-0.2828	-0.3226	-0.0016	2.2945	-0.4263	-0.7665	1.8906	0.3531	1.6731	8.4294	26.0274	-27.1987
22	0.8498	0.2939	-0.4968	0.0985	-0.1685	0.2911	0.1615	0.2656	-0.3363	-0.0275	0.3402	-0.0573	0.2315	-0.0934	0.6996	0.423	-1.2311	-0.2453	1.4415	-0.8935	3.2718	24.7505	87.2844	44.1329
23	0.2413	0.0323	0.0456	0.0222	-0.024	0.0667	0.2609	0.217	0.0766	-0.1548	-0.2196	0.6385	0.0722	0.1711	-0.0365	-0.8689	-1.7155	-0.1123	1.0896	-0.7306	2.4159	27.2152	72.2743	30.002
24	0.0336	-0.003	0.0587	0.0016	0.0121	0.1011	-0.0096	0.0605	-0.0716	-0.4682	0.3022	0.4494	0.0584	0.2166	-0.0775	1.9478	-1.9058	0.3849	0.3838	-0.5097	1.8016	35.0394	58.9932	30.7477
25	0.041	0.0007	-0.0065	0.0195	0.0141	0.0145	0.4396	-0.0765	-0.0825	0.1445	-0.1601	-0.0319	0.4468	-0.3961	-0.0014	1.7303	0.1394	-0.7738	3.0234	0.4738	1.1596	43.3373	52.6514	40.1796
26	0.0039	-0.0057	0.01	0.0219	0.0001	0.0097	-0.1224	-0.2971	-0.5406	0.3121	-0.0262	-0.0656	-0.3132	0.2864	0.0003	1.7126	-0.4661	-0.1031	2.2318	-0.0319	0.9846	33.4122	56.5731	44.1795
27	0.1729	0.0077	-0.0171	0.0333	0.0167	0.0085	0.2663	-0.3146	-0.136	0.2672	-0.1928	-0.0269	0.1424	-0.1023	-0.2118	2.0774	-1.8101	0.1188	1.9112	-0.821	1.1446	29.4706	50.55	35.3026
28	0.6913	0.2977	0.052	0.186	-0.1321	0.3517	-0.0775	0.0112	0.3772	-0.1216	0.2391	0.5883	-0.181	0.0554	0.2359	1.933	-0.2603	0.4651	0.5452	-0.7833	2.8681	37.7382	47.1975	30.1763
29	0.6192	-0.3145	0.5668	0.16	-0.2907	0.5096	-0.6764	-0.1338	-0.04	-0.1364	-0.4936	0.2981	-0.0006	-0.0466	-0.4617	3.0757	0.297	-0.7576	0.4967	0.355	2.4821	41.8931	42.8082	46.0872
30	0.1349	0.3389	0.1364	0.7729	0.311	0.1702	0.2506	1.2526	-0.0302	-1.6766	-0.1247	-0.5296	-2.1584	2.2536	0.0703	2.7283	-0.0664	-0.2578	0.9953	-0.1445	2.352	40.1914	61.55	26.4647
31	5.3148	-2.6513	0.0317	1.6089	-0.0229	0.0105	-0.6001	-0.463	-1.1005	0.5102	0.6183	1.0283	-0.2178	0.2736	-0.8896	2.6015	-1.0893	-1.0173	0.5322	-0.4243	1.6768	39.2037	77.4529	40.5893
32	1.2113	0.1301	-0.1702	0.0145	0.0774	1.5291	-0.4874	0.4526	0.0101	-0.6954	-0.1698	0.51	-0.2056	0.5081	-1.0464	2.2494	-1.5104	0.2292	-0.6486	-1.38	1.8997	30.2266	69.9634	43.3152
33	0.039	0.057	-0.0314	0.1961	0.1578	0.2176	0.2268	0.0567	0.5186	-0.2196	0.2032	0.3635	-0.0618	0.0003	1.1464	0.8755	-2.4311	-0.9381	0.3154	-0.5634	2.7794	10.7179	76.7852	36.1714
34	0.0133	0.0318	-0.0021	0.0556	-0.01	0.0013	-0.0484	0.057	0.1337	-0.0714	0.0463	-0.1477	-0.1589	0.2014	0.1417	1.3664	-0.7997	0.1366	2.5418	-0.5683	2.864	1.7668	79.195	41.872
35	0.2257	-0.125	0.0745	0.1141	-0.2274	2.4885	0.3366	-0.2144	-0.0654	0.5479	-0.4179	0.2253	0.0023	0.3105	-0.5077	1.4929	-0.4732	-0.0242	0.561	-0.4638	2.0969	20.3566	83.1144	41.2914
36	0.0273	0.01	0.0264	-0.0029	0.002	0.0238	0.2483	-0.7257	-0.3474	-0.2436	0.5083	-0.3735	-0.5974	0.5349	0.0044	2.0425	-0.5088	0.2085	1.7868	-0.0525	3.0511	31.4765	44.0732	53.2217
37	0.804	-0.0852	-0.5086	0.6134	-0.742	1.2401	-0.3369	-0.6694	0.2945	0.4384	-1.3338	1.0389	1.3461	-1.0648	-2.0995	2.2936	-0.8154	0.2328	1.4516	-0.6655	3.2957	16.6024	54.3309	37.8874
38	1.5955	0.1407	0.5239	0.2572	-0.1118	1.9619	-0.1734	-0.1172	0.2613	-0.4413	-0.165	0.0114	-0.0466	-0.7397	0.5396	2.0844	-0.2418	-0.9826	1.7966	-0.481	2.7013	4.2344	66.262	20.2021
39	0.0082	0.0075	-0.0037	0.0069	-0.0043	-0.001	0.3424	0.2328	-0.5184	-0.0323	-0.0129	0.3365	0.6174	-0.2943	-0.0274	2.8024	1.3425	-0.5424	3.1743	0.2362	4.2846	-4.2019	80.5207	18.9533
40	0.0329	0.0154	0.0105	0.0036	-0.0194	0.0574	-0.2629	-0.1842	0.2984	-0.6559	-0.1739	-0.1987	-0.3137	-0.8037	0.0002	2.4439	-0.1406	-0.4243	1.8033	0.7381	3.5316	3.845	78.0699	17.3913
41	0.9239	0.1501	-0.2077	0.2263	-0.1961	0.1588	0.167	0.1224	0.5624	-0.3489	0.2465	0.2822	0.2885	-0.5429	0.7273	1.8533	-0.918	-0.614	0.8237	-0.4107	3.0951	11.7962	60.4141	31.5078
42	0.6322	0.0647	0.5045	0.1922	0.096	0.3575	-0.5736	-0.0785	-0.1556	0.889	-0.6305	-0.1858	0.7798	-0.1173	-0.062	2.6932	-0.7203	0.5903	1.2983	0.2469	2.2163	25.9379	41.3759	49.3853

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 12 through 17 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 18 through 39 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 40 through 59 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 60 through 83 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 84 through 91 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 92 through 104 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 105 through 126 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 127 through 150 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 12 through 84 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 85 through 94 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 95 through 123 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 124 through 150 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid -11 through -7 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid -6 through -2 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid -1 through 3 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 4 through 8 )
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 9 through 11 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid -11 through -7 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid -6 through -2 )
20	X-RAY DIFFRACTION	20	chain 'F' and (resid -1 through 8 )
21	X-RAY DIFFRACTION	21	chain 'F' and (resid 9 through 11 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 12 through 17 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 18 through 39 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 40 through 54 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 55 through 59 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 60 through 70 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 71 through 82 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 83 through 91 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 92 through 98 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 99 through 124 )
31	X-RAY DIFFRACTION	31	chain 'C' and (resid 125 through 150 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 12 through 39 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 40 through 83 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 84 through 90 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 91 through 150 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid -11 through -7 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid -6 through 3 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 4 through 8 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 9 through 11 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid -11 through -7 )
41	X-RAY DIFFRACTION	41	chain 'H' and (resid -6 through 3 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 4 through 11 )

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