PDB-3myf: The Crystal Structure of the HPT domain from the Hpt Sensor Hybri...

ID or keywords:

Entry

Database: PDB / ID: 3myf

Title

The Crystal Structure of the HPT domain from the Hpt Sensor Hybrid Histidine Kinase from Shewanella to 1.80A

Components

Sensor protein

Keywords

TRANSFERASE / HPT / histidine kinase / PSI / MCSG / Structural Genomics / Midwest Center for Structural Genomics / Protein Structure Initiative

Function / homology

Function and homology information

Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a nitrogenous group as acceptor / histidine kinase / phosphorelay sensor kinase activity / membrane => GO:0016020
Similarity search - Function

Biological species

Shewanella sp. W3-18-1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 1.8 Å

Authors

Stein, A.J. / Tesar, C. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: The Crystal Structure of the HPT domain from the Hpt Sensor Hybrid Histidine Kinase from Shewanella to 1.80A
Authors: Stein, A.J. / Tesar, C. / Clancy, S. / Joachimiak, A.

History

Deposition	May 10, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 26, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Nov 8, 2017	Group: Refinement description / Category: software

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3myf.cif.gz	198.9 KB	Display	PDBx/mmCIF format
PDB format	pdb3myf.ent.gz	171.9 KB	Display	PDB format
PDBx/mmJSON format	3myf.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3myf_validation.pdf.gz	447.5 KB	Display	wwPDB validaton report
Full document	3myf_full_validation.pdf.gz	452.6 KB	Display
Data in XML	3myf_validation.xml.gz	20.2 KB	Display
Data in CIF	3myf_validation.cif.gz	28.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/my/3myf ftp://data.pdbj.org/pub/pdb/validation_reports/my/3myf	HTTPS FTP

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Related structure data

Similar structure data	5aiq-1 3njl-3 3gh3-2 3rtx-1 6ape-d 5y4s-9 3p42-1 6z31-d 2hth-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	TargetDB: APC36647.3

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#190 - Oct 2015 Two-component Systems similarity (17) #183 - Mar 2015 Phototropin similarity (8) #158 - Feb 2013 Proton-Gated Urea Channel similarity (4) #97 - Jan 2008 Circadian Clock Proteins similarity (1)

Deposited unit

A: Sensor protein

B: Sensor protein

C: Sensor protein

D: Sensor protein

53.8 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Sensor protein

B: Sensor protein

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

2

C: Sensor protein

D: Sensor protein

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

3

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	68.889, 71.188, 95.852
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Sensor protein Mass: 13454.894 Da / Num. of mol.: 4 / Fragment: residues 805-923 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Shewanella sp. W3-18-1 (bacteria) / Strain: W3 / Gene: Sputw3181_1245 / Plasmid: pMCSG19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: A1RHE3, UniProt: A0A6N3J2V7*PLUS, histidine kinase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 217 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Sensor protein

Mass: 13454.894 Da / Num. of mol.: 4 / Fragment: residues 805-923
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Shewanella sp. W3-18-1 (bacteria) / Strain: W3 / Gene: Sputw3181_1245 / Plasmid: pMCSG19 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
References: UniProt: A1RHE3, UniProt: A0A6N3J2V7*PLUS, histidine kinase

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 217 / 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: 2.21 Å³/Da / Density % sol: 44.4 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 8% PEG 4000, 0.1M Sodium acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 290K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.9794 Å

Detector

Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 4, 2009

Radiation

Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection

Resolution: 1.8→50 Å / Num. obs: 43778 / % possible obs: 99.6 % / Redundancy: 5.2 % / R_merge(I) obs: 0.075 / Χ²: 2.43 / Net I/σ(I): 11.1

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	Χ²	% possible all
1.8-1.86	5.3	0.579	4325	0.93	100
1.86-1.94	5.3	0.396	4318	0.992	100
1.94-2.03	5.3	0.26	4340	1.162	100
2.03-2.13	5.3	0.182	4327	1.349	100
2.13-2.27	5.3	0.128	4363	1.617	100
2.27-2.44	5.3	0.104	4355	1.868	100
2.44-2.69	5.3	0.088	4381	2.333	100
2.69-3.08	5.2	0.081	4427	3.424	100
3.08-3.88	5.1	0.064	4431	4.46	100
3.88-50	4.9	0.056	4511	6.432	96.7

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC		refinement
PDB_EXTRACT	3.004	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
SHELX		phasing
MLPHARE		phasing
DM		phasing
RESOLVE		phasing
Coot		model building

Refinement

Resolution: 1.8→32.42 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.923 / SU B: 8.565 / SU ML: 0.12 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.151 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.271	2208	5.1 %	RANDOM
R_work	0.222	-	-	-
obs	0.225	43658	98.71 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 36.553 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0 Å²	0 Å²	0 Å²
2-	-	-0.01 Å²	0 Å²
3-	-	-	0.01 Å²

Refinement step

Cycle: LAST / Resolution: 1.8→32.42 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3484	0	0	217	3701

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	3617
X-RAY DIFFRACTION	r_angle_refined_deg	1.273	1.999	4947
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.28	5	493
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.295	27.174	138
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.819	15	683
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.279	15	9
X-RAY DIFFRACTION	r_chiral_restr	0.087	0.2	634
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	2591
X-RAY DIFFRACTION	r_mcbond_it	0.512	1.5	2359
X-RAY DIFFRACTION	r_mcangle_it	0.869	2	3824
X-RAY DIFFRACTION	r_scbond_it	1.771	3	1258
X-RAY DIFFRACTION	r_scangle_it	2.576	4.5	1105

LS refinement shell

Resolution: 1.802→1.849 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.347	138	-
R_work	0.286	2707	-
all	-	2845	-
obs	-	-	88.6 %

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	35.4396	-8.9801	8.0679	8.2327	-9.9631	12.3838	-0.5939	-0.9403	1.1067	0.9537	0.4239	-0.273	-1.2345	-0.4625	0.17	0.2857	-0.1182	-0.0237	0.2289	0.0981	0.3548	27.2781	-26.5278	-15.3564
2	0.305	0.642	-1.4862	6.9198	-10.5837	17.2585	0.355	0.0311	0.0712	0.1026	-0.274	0.0754	-0.7943	0.4564	-0.081	0.4165	-0.1284	-0.0471	0.6574	0.2994	0.3857	30.0732	-26.1028	-24.5744
3	22.5659	-0.7584	-11.6533	19.1437	-14.7438	18.0028	0.2828	0.7375	0.5239	-0.8693	-1.0226	-1.3152	0.5474	0.426	0.7398	0.1982	0.0391	0.0206	0.8694	0.158	0.3093	31.3486	-29.2498	-30.6199
4	9.9843	2.7414	-10.0108	12.433	-5.096	10.5104	0.193	-0.4229	-0.4431	-1.0643	-0.671	-0.2887	0.0264	0.5641	0.478	0.3746	-0.045	-0.0877	0.6993	0.1473	0.2955	25.1002	-24.5887	-33.5736
5	34.2524	2.5255	7.1987	0.5825	1.851	36.0308	-0.1925	0.7182	-1.747	-0.2893	-0.1512	-0.3977	0.4593	0.758	0.3438	0.5194	0.1722	0.1452	0.3648	0.2526	0.4354	18.136	-26.9813	-30.1343
6	8.6439	1.1716	-6.7889	2.6757	-5.0416	12.1721	0.3176	0.7162	-0.1811	0.0942	0.0418	0.3671	-0.434	-0.4719	-0.3594	0.1443	0.0257	-0.1343	0.1207	0.0234	0.3258	10.9176	-29.7484	-22.6085
7	19.6403	1.7108	-4.6291	16.1599	-6.8077	3.6534	0.2949	0.1385	-0.0451	0.1679	-0.0285	0.6572	-0.1298	-0.0291	-0.2664	0.0829	-0.0109	-0.0471	0.2002	0.0989	0.2423	7.0942	-35.2272	-14.9458
8	0.8557	-2.8713	0.5054	10.2972	-0.9011	1.2744	-0.0619	-0.122	-0.142	0.4488	0	0.6198	0.1473	-0.6309	0.0618	0.1142	-0.0724	0.0188	0.403	0.0739	0.3808	4.5985	-42.6517	-10.7946
9	11.9021	5.1351	-4.6211	2.3803	-2.9855	7.8247	-0.0962	0.1729	0.3012	-0.059	0.0785	0.1275	0.161	-0.1112	0.0177	0.113	-0.0005	-0.0767	0.1448	0.1055	0.3505	9.4881	-44.4094	-18.2428
10	21.4685	8.3358	-10.1898	6.5477	-6.2268	6.505	0.3663	0.2144	-0.4835	-0.5114	-0.2163	0.413	0.1922	0.3935	-0.15	0.2065	-0.1418	-0.1468	0.6635	-0.0869	0.2411	17.4665	-39.34	-22.7701
11	7.7756	-0.4751	-2.7504	2.6342	0.1411	8.5272	0.3067	0.6241	-0.1203	-0.2194	-0.2323	-0.1847	0.2381	0.5919	-0.0745	0.1136	-0.0035	-0.0611	0.2529	0.0979	0.1747	24.6328	-33.5723	-21.5835
12	15.9415	0.2277	1.735	12.3902	-3.138	1.0106	-0.1198	0.1926	-0.0778	-0.0887	0.0676	-0.2781	0.0279	0.0521	0.0521	0.0775	0.0055	-0.0519	0.2458	0.0614	0.1339	24.0474	-39.3606	-15.2314
13	5.7685	-2.0486	-2.2058	15.5986	-6.2955	4.2176	0.1465	-0.3426	-0.1046	-0.1338	-0.1426	0.0646	-0.0024	0.2681	-0.0039	0.0854	0.0249	-0.0765	0.2156	0.0025	0.2662	18.7764	-46.0197	-14.9061
14	7.3233	-6.0591	-6.0068	11.2531	10.686	12.1401	-0.0237	0.0628	-0.1042	-0.2927	-0.0853	-0.1147	0.094	0.3547	0.1091	0.1504	0.0272	-0.0271	0.1443	0.1387	0.3311	14.8219	-50.8605	-12.5151
15	9.2146	14.3238	-3.5452	23.9456	-1.5691	10.6365	0.1973	0.054	0.1963	0.4102	-0.1144	0.3196	0.0733	-0.5134	-0.0829	0.1136	0.0527	0.0116	0.2728	0.2039	0.2721	13.5045	-43.9677	-5.1783
16	8.7109	0.218	1.3905	11.4191	2.178	21.1048	-0.3072	-0.3429	-0.1916	0.5148	0.2841	-0.0656	-0.0364	0.512	0.0231	0.062	-0.0169	-0.0285	0.1388	0.1325	0.1748	16.8306	-37.2768	-8.9058
17	6.3835	0.9668	-8.0171	11.6701	-6.3632	12.5995	0.1531	-0.5677	0.3638	0.4956	0.2395	0.3624	-0.4901	0.5401	-0.3926	0.1525	-0.0235	-0.0617	0.1851	0.0214	0.2459	17.5093	-28.9821	-12.7629
18	2.3034	2.1085	-7.2322	23.025	-18.527	29.4331	0.5189	0.1073	-0.1281	0.7434	-0.4883	0.7501	-1.7257	0.0166	-0.0307	0.3408	-0.1565	-0.061	0.1734	0.0845	0.3425	18.0831	-21.7028	-19.2557
19	15.7401	26.655	-5.8641	57.2508	-15.3236	4.6141	1.123	0.5513	-0.59	1.9031	-1.2893	-0.9173	-0.5969	0.793	0.1663	1.1221	0.015	0.1456	0.4765	0.0478	0.2354	22.4719	-16.8167	-25.872
20	2.6994	-0.9912	-0.5324	2.6892	0.6418	2.0233	0.014	-0.1181	-0.1007	0.1553	0.0363	-0.2117	0.2269	0.3176	-0.0503	0.1331	0.0067	-0.0276	0.1112	0.0044	0.133	8.6266	-29.0988	-39.928
21	3.0747	3.242	-6.53	46.2209	25.0959	44.3776	0.3923	0.5857	0.1524	-0.9241	-0.6232	-0.7638	-1.6612	0.0894	0.231	0.3578	0.0886	0.1361	0.9607	0.4063	0.4929	23.414	11.0314	-42.1579
22	11.1544	-1.8556	-11.6472	21.0709	-0.5646	12.5176	0.4079	0.3555	0.379	0.1595	-0.0074	0.5928	-0.6067	-0.4492	-0.4005	0.6142	0.2187	-0.0199	0.1962	0.0063	0.3898	13.6987	10.591	-37.9547
23	3.0241	1.8611	0.4341	7.7398	5.8227	4.7504	0.1698	-0.062	0.3415	0.2147	-1.1845	1.3952	0.0709	-1.0117	1.0147	0.5808	0.225	0.0909	0.3794	-0.0848	0.5017	9.3936	8.3413	-31.8612
24	21.8453	-7.4359	-19.4879	5.163	-3.6255	57.3915	0.4594	-0.0669	0.2256	-0.2173	0.4234	0.1064	-0.2304	-1.5165	-0.8828	0.4	0.1103	0.0762	0.1216	0.0359	0.2503	16.6484	7.8325	-27.1039
25	8.4059	-2.5685	-2.5446	1.1199	-0.6351	12.0554	-0.4757	-1.6958	-0.0602	0.2669	0.5467	0.2964	-0.6658	0.6436	-0.0711	0.3376	0.0262	0.0869	0.42	-0.0422	0.4886	22.225	3.7509	-25.862
26	14.957	-1.0606	-1.8487	5.1497	4.9875	5.5331	-0.0194	-1.1557	0.1694	0.3609	0.0233	-0.1084	0.2065	0.0802	-0.004	0.1797	-0.0148	-0.0117	0.2255	-0.0356	0.1243	30.8163	-1.1015	-27.3151
27	15.6089	-7.2999	1.9895	12.0386	4.8456	8.7381	0.0106	-0.5268	0.3571	0.4688	0.1016	-0.476	0.1824	0.5307	-0.1122	0.0957	-0.0233	-0.0108	0.2369	-0.0227	0.1064	35.0937	-7.336	-30.5295
28	48.7085	20.7564	7.5721	11.1702	0.9508	3.5293	-0.0143	0.2091	-1.9486	0.048	0.3004	-0.9973	0.1565	-0.0687	-0.286	0.3955	0.19	-0.1311	0.3043	-0.0873	0.3365	35.5372	-15.0857	-32.7727
29	8.415	-5.8081	-0.8162	6.196	3.987	5.4441	-0.1796	-0.1148	-0.0223	0.267	0.3851	-0.1231	0.2534	0.5332	-0.2055	0.1387	-0.0074	0.0118	0.1743	0.0651	0.1061	27.5465	-10.8006	-32.7805
30	5.9606	-0.5143	0.4034	11.5798	2.0485	7.7175	-0.0186	-0.4056	-0.1131	0.093	-0.023	0.1679	0.0333	-0.5701	0.0416	0.104	-0.0007	0.045	0.0674	-0.0025	0.0958	21.2681	-6.1387	-33.8971
31	1.9824	-0.8025	-2.457	5.6922	-7.0043	14.9748	0.2636	0.1926	-0.0895	0.1182	-0.1922	0.1608	-0.7277	-0.114	-0.0714	0.3146	0.1034	-0.0012	0.0982	-0.0748	0.1725	17.5062	1.9949	-36.0493
32	0.5643	1.9982	1.4142	13.1123	0.9053	6.3358	-0.2191	0.0284	0.0363	-0.3068	0.1508	0.1279	-0.8883	0.0333	0.0683	0.2795	-0.0115	0.0898	0.0925	0.0179	0.1346	23.6244	1.3585	-42.5376
33	0.9857	-1.6158	0.9316	8.4674	-0.6078	9.7825	0.0554	-0.2146	0.0729	-0.281	-0.0618	0.22	-0.3103	0.2541	0.0064	0.0764	-0.0222	0.0169	0.1235	-0.018	0.0889	25.3415	-6.4863	-42.1142
34	12.9689	-0.6127	1.7156	15.733	3.2477	8.6893	0.3063	-0.0349	-0.8523	0.03	-0.286	0.3808	0.7438	-0.5615	-0.0203	0.1062	-0.0362	0.0127	0.1068	0.0225	0.1245	25.7528	-16.0517	-42.2697
35	3.5024	4.6708	0.0629	10.5521	-1.2868	4.7651	0.0668	-0.2801	0.0353	0.2076	-0.1038	-0.0622	0.0136	0.8532	0.037	0.0887	-0.0001	0.0187	0.2837	-0.0033	0.0623	35.4802	-11.8174	-42.0944
36	2.3594	-5.5647	-3.2692	13.8088	5.9929	8.906	-0.0072	-0.1004	0.0383	0.1773	0.1071	-0.0348	-0.3477	0.5104	-0.0999	0.1223	-0.1311	0.0542	0.2002	-0.0113	0.1377	33.5673	-2.461	-40.6941
37	7.7901	-3.7047	5.6333	13.804	-4.0256	8.6841	-0.0354	0.4151	0.8674	0.3506	-0.2643	-0.3509	-0.3486	0.2543	0.2997	0.2291	-0.1401	0.0811	0.163	-0.0523	0.2192	32.1124	3.9167	-36.4358
38	21.864	3.5023	-0.1463	9.8768	5.7924	7.2879	-0.2378	-0.1191	-0.0845	0.2824	0.2913	-0.5303	-0.8075	0.329	-0.0535	0.3816	-0.0796	0.037	0.0736	-0.0513	0.275	28.1854	9.424	-34.107
39	26.6112	-4.0431	11.5518	1.4896	-3.4093	9.5725	-0.3461	-1.3975	1.6846	0.0251	-0.1584	-0.1446	-1.331	0.3502	0.5045	1.066	-0.1834	-0.014	0.2826	-0.1307	0.3724	22.2374	15.6325	-29.8425
40	24.3882	-4.5496	-6.8529	5.9703	3.8457	19.7983	0.1169	-0.484	-0.735	0.4473	-0.323	0.6762	1.2213	-0.8417	0.2061	0.2775	-0.0664	-0.0062	0.0852	-0.0403	0.1896	3.407	-6.659	-13.8449
41	5.3027	-0.5819	-0.4482	13.7234	-7.6362	22.2718	-0.1371	0.6705	-0.1825	-0.3014	0.0775	0.0945	0.3722	-1.1863	0.0596	0.112	-0.0139	-0.0226	0.2386	-0.0877	0.1824	2.3487	-3.2457	-23.4799
42	5.6475	-2.7546	-1.3158	11.0889	18.2684	41.0896	0.15	0.2539	0.1852	-0.7436	-0.4068	0.0828	-2.1789	-1.1552	0.2568	0.2619	0.1024	-0.0414	0.2757	-0.0368	0.2456	2.1286	2.3565	-28.2085
43	31.1913	-6.7677	1.9526	4.0343	-3.6123	11.7432	-0.0198	0.2946	0.2428	-0.261	-0.0335	0.0039	-0.0564	-0.3248	0.0534	0.149	0.016	0.0077	0.1186	-0.0487	0.15	9.4563	-3.1984	-31.0975
44	18.9576	-0.8775	-5.0304	3.3732	3.175	20.288	0.0602	0.6166	1.6624	-0.6506	-0.1594	0.329	-0.8206	0.0593	0.0992	0.16	-0.0652	-0.0296	0.2838	-0.0918	0.2683	14.9151	-2.9613	-25.3598
45	5.723	0.6031	3.5554	4.789	-0.051	12.5628	-0.031	0.5491	0.004	0.1248	0.2669	-0.7917	0.4133	1.1117	-0.2359	0.1532	0.1014	-0.0385	0.2545	-0.0909	0.2729	22.4027	-4.4747	-16.9274
46	29.9603	-2.3509	-8.4992	12.9654	-1.2953	9.2156	-0.2736	0.515	-0.1491	0.7695	0.6407	-0.7707	0.672	1.0578	-0.367	0.2757	0.2258	-0.1666	0.3267	-0.1691	0.2416	25.9507	-0.0332	-7.2812
47	8.6653	1.247	0.0053	8.0842	-7.3364	6.924	0.2423	0.4791	-0.0495	0.4356	-0.3933	-0.5169	-0.1806	0.5214	0.1511	0.4396	0.1703	-0.4355	0.4145	-0.3051	0.703	28.1205	6.3097	-3.6578
48	2.4534	2.6159	2.9638	4.0165	5.9048	9.7504	-0.2204	0.3739	-0.2479	-0.0841	0.4321	-0.2578	0.0618	0.5885	-0.2117	0.1412	0.0193	0.009	0.2247	0.0272	0.2665	21.9705	7.1531	-11.4143
49	13.786	3.8646	0.4144	13.0502	-0.2657	11.1214	-0.2495	0.3006	0.3559	-0.6041	0.1007	-0.1722	-0.0051	0.4395	0.1488	0.1176	0.0303	0.0138	0.1175	-0.0169	0.1021	15.397	4.9121	-16.8544
50	10.7212	5.902	-5.5369	8.4151	1.3648	9.4429	-0.1012	0.516	0.3225	-0.54	0.2715	0.0816	-0.4439	-0.1248	-0.1703	0.152	0.0272	-0.0231	0.1211	-0.0163	0.1137	8.0834	1.8445	-19.0998
51	6.2683	0.4206	3.5933	11.2963	2.8823	2.6875	0.015	0.2234	0.0603	0.3683	-0.0847	0.308	0.1038	0.0907	0.0697	0.128	0.0251	-0.0009	0.0767	0.0288	0.1387	9.5323	3.2593	-9.9981
52	7.2642	3.2436	-1.5563	13.1471	-0.7497	6.5481	-0.0486	-0.0105	0.3364	-0.166	0.0097	0.1315	0.134	0.0478	0.0389	0.1112	0.0028	-0.0242	0.0196	-0.006	0.1198	14.1	9.4958	-6.3353
53	6.9252	-7.2614	1.0213	18.3507	0.5304	8.9512	0.0068	-0.2706	0.2704	0.8444	0.0228	-0.2425	-0.4973	-0.2081	-0.0296	0.2028	-0.0226	0.0055	0.0446	-0.0039	0.1559	17.4476	14.3773	-3.5327
54	10.6299	0.6554	-4.6188	7.064	-0.4428	9.9083	0.1021	-0.5902	-0.2724	-0.0607	0.1352	-0.1445	0.5231	0.4297	-0.2373	0.1751	-0.0002	-0.0529	0.0568	0.0091	0.1545	19.6067	5.543	1.5731
55	1.8496	0.189	-5.6193	17.3622	3.0126	18.121	0.0764	-0.0465	-0.025	0.157	-0.1339	-0.2743	0.2589	-0.073	0.0575	0.4579	-0.1627	-0.0486	0.1487	-0.0297	0.0928	15.2982	-0.5015	-1.6953
56	14.3675	7.6866	3.2169	4.7559	0.4419	3.7282	0.3226	-0.6497	-0.3141	0.0774	-0.3156	-0.2076	0.803	-0.2038	-0.0069	0.6111	0.0236	-0.018	0.0561	-0.0446	0.1624	14.0306	-6.4248	-9.7415
57	5.19	-3.8167	11.7864	5.6275	-3.1896	37.4085	0.1318	0.0677	-0.1183	0.4825	-0.1544	0.2269	1.4525	-0.0454	0.0226	0.3338	-0.0047	-0.0271	0.0291	-0.0954	0.3291	12.0518	-12.0321	-18.8281
58	20.6018	11.0125	10.1281	14.2861	-0.7268	39.9422	-0.0678	1.0313	-0.2813	0.0475	0.1489	-0.3926	1.1375	-0.41	-0.081	0.2843	-0.0677	-0.0038	0.1972	-0.0881	0.2881	8.522	-12.8223	-27.2776

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	806 - 810
2	X-RAY DIFFRACTION	2	A	811 - 815
3	X-RAY DIFFRACTION	3	A	816 - 821
4	X-RAY DIFFRACTION	4	A	822 - 827
5	X-RAY DIFFRACTION	5	A	828 - 832
6	X-RAY DIFFRACTION	6	A	833 - 840
7	X-RAY DIFFRACTION	7	A	841 - 846
8	X-RAY DIFFRACTION	8	A	847 - 852
9	X-RAY DIFFRACTION	9	A	853 - 859
10	X-RAY DIFFRACTION	10	A	860 - 867
11	X-RAY DIFFRACTION	11	A	868 - 875
12	X-RAY DIFFRACTION	12	A	876 - 880
13	X-RAY DIFFRACTION	13	A	881 - 886
14	X-RAY DIFFRACTION	14	A	887 - 892
15	X-RAY DIFFRACTION	15	A	893 - 897
16	X-RAY DIFFRACTION	16	A	898 - 902
17	X-RAY DIFFRACTION	17	A	903 - 909
18	X-RAY DIFFRACTION	18	A	910 - 915
19	X-RAY DIFFRACTION	19	A	916 - 921
20	X-RAY DIFFRACTION	20	B	806 - 919
21	X-RAY DIFFRACTION	21	C	806 - 810
22	X-RAY DIFFRACTION	22	C	811 - 817
23	X-RAY DIFFRACTION	23	C	818 - 826
24	X-RAY DIFFRACTION	24	C	827 - 831
25	X-RAY DIFFRACTION	25	C	832 - 836
26	X-RAY DIFFRACTION	26	C	837 - 842
27	X-RAY DIFFRACTION	27	C	843 - 848
28	X-RAY DIFFRACTION	28	C	849 - 854
29	X-RAY DIFFRACTION	29	C	855 - 860
30	X-RAY DIFFRACTION	30	C	861 - 865
31	X-RAY DIFFRACTION	31	C	866 - 872
32	X-RAY DIFFRACTION	32	C	873 - 877
33	X-RAY DIFFRACTION	33	C	878 - 883
34	X-RAY DIFFRACTION	34	C	884 - 889
35	X-RAY DIFFRACTION	35	C	890 - 897
36	X-RAY DIFFRACTION	36	C	898 - 902
37	X-RAY DIFFRACTION	37	C	903 - 907
38	X-RAY DIFFRACTION	38	C	908 - 912
39	X-RAY DIFFRACTION	39	C	913 - 919
40	X-RAY DIFFRACTION	40	D	806 - 810
41	X-RAY DIFFRACTION	41	D	811 - 816
42	X-RAY DIFFRACTION	42	D	817 - 822
43	X-RAY DIFFRACTION	43	D	823 - 828
44	X-RAY DIFFRACTION	44	D	829 - 833
45	X-RAY DIFFRACTION	45	D	834 - 842
46	X-RAY DIFFRACTION	46	D	843 - 848
47	X-RAY DIFFRACTION	47	D	849 - 854
48	X-RAY DIFFRACTION	48	D	855 - 861
49	X-RAY DIFFRACTION	49	D	862 - 867
50	X-RAY DIFFRACTION	50	D	868 - 873
51	X-RAY DIFFRACTION	51	D	874 - 880
52	X-RAY DIFFRACTION	52	D	881 - 885
53	X-RAY DIFFRACTION	53	D	886 - 890
54	X-RAY DIFFRACTION	54	D	891 - 896
55	X-RAY DIFFRACTION	55	D	897 - 901
56	X-RAY DIFFRACTION	56	D	902 - 909
57	X-RAY DIFFRACTION	57	D	910 - 915
58	X-RAY DIFFRACTION	58	D	916 - 921

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