PDB-3bwl: Crystal structure of PAS domain of HTR-like protein from Haloarcu...

ID or keywords:

Entry

Database: PDB / ID: 3bwl

Title

Crystal structure of PAS domain of HTR-like protein from Haloarcula marismortui

Components

Sensor protein

Keywords

TRANSFERASE / structural genomics / APC87707.1 / PAS domain / HTR-like protein / PSI-2 / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG / Kinase / Phosphoprotein

Function / homology

Function and homology information

phosphorelay sensor kinase activity
Similarity search - Function

Biological species

Haloarcula marismortui ATCC 43049 (Halophile)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.73 Å

Authors

Osipiuk, J. / Zhou, M. / Freeman, L. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: X-ray crystal structure of PAS domain of HTR-like protein from Haloarcula marismortui.
Authors: Osipiuk, J. / Zhou, M. / Freeman, L. / Joachimiak, A.

History

Deposition	Jan 9, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 15, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 25, 2017	Group: Refinement description / Category: software Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3bwl.cif.gz	130.8 KB	Display	PDBx/mmCIF format
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Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bw/3bwl ftp://data.pdbj.org/pub/pdb/validation_reports/bw/3bwl	HTTPS FTP

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Related structure data

Similar structure data	2yc1-1 7jhp-d 2vma-d 6k68-4 1idj-1 6xgu-d 3qq8-d 5aii-1 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: APC87707.1

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#183 - Mar 2015 Phototropin similarity (12) #190 - Oct 2015 Two-component Systems similarity (12) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (2) #207 - Mar 2017 Photoactive Yellow Protein similarity (5) #122 - Feb 2010 Enhanceosome similarity (2) #97 - Jan 2008 Circadian Clock Proteins similarity (1)

Deposited unit

A: Sensor protein

B: Sensor protein

C: Sensor protein

D: Sensor protein

hetero molecules

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

1

A: Sensor protein

B: Sensor protein

hetero molecules

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

2

C: Sensor protein

D: Sensor protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	66.811, 68.533, 105.988
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Details

AUTHORS STATE THAT THE DIMERIC ASSEMBLY OF THE BIOLOGICAL UNIT THAT IS SHOWN IN REMARK 350 IS PUTATIVE AT THE TIME OF DEPOSITION.

#1: Protein	Sensor protein Mass: 14837.896 Da / Num. of mol.: 4 / Fragment: PAS domain: Residues 387-509 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haloarcula marismortui ATCC 43049 (Halophile) Species: Haloarcula marismortui / Strain: DSM 3752 / JCM 8966 / Gene: htlD, rrnAC0075 / Plasmid: pMCSG7 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q5V5P7, histidine kinase
#2: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-I3A / 1H-INDOLE-3-CARBALDEHYDE Mass: 145.158 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₉H₇NO / Comment: agonist*YM
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 470 / 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: 2.04 Å³/Da / Density % sol: 39.83 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.2 M Magnesium chloride, 0.1 M Hepes buffer, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9792 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 5, 2007
Radiation	Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9792 Å / Relative weight: 1
Reflection	Resolution: 1.73→35.6 Å / Num. all: 51106 / Num. obs: 51106 / % possible obs: 98.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 13.2 % / B_iso Wilson estimate: 32.1 Å² / R_merge(I) obs: 0.104 / Χ²: 1.893 / Net I/σ(I): 10.7
Reflection shell	Resolution: 1.73→1.77 Å / Redundancy: 6.3 % / R_merge(I) obs: 0.623 / Mean I/σ(I) obs: 2.01 / Num. unique all: 2998 / Χ²: 0.933 / % possible all: 81.5

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC	5.2.0019	refinement
PDB_EXTRACT	3.004	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
SHELXD		phasing
MLPHARE		phasing
DM		phasing
SOLVE		phasing
RESOLVE		phasing
HKL-3000		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.73→35.6 Å / Cor.coef. F_o:F_c: 0.971 / Cor.coef. F_o:F_c free: 0.954 / SU B: 4.274 / SU ML: 0.072 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.113 / ESU R Free: 0.109 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ELECTRON DENSITY INDICATES THAT AN INDOLE DERIVATIVE, MODELED AS INDOLE-3-CARBOXALDEHYDE (I3A), IS LOCATED IN PUTATIVE ACTIVE SITE OF ...

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.197	2589	5.1 %	RANDOM
R_work	0.159	-	-	-
all	0.161	51009	-	-
obs	0.161	51009	98.15 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 24.822 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.79 Å²	0 Å²	0 Å²
2-	-	0.51 Å²	0 Å²
3-	-	-	-1.3 Å²

Refinement step

Cycle: LAST / Resolution: 1.73→35.6 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3947	0	49	470	4466

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.022	4351
X-RAY DIFFRACTION	r_angle_refined_deg	1.581	1.975	5909
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.021	5	572
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.966	23.948	271
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.682	15	827
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.628	15	58
X-RAY DIFFRACTION	r_chiral_restr	0.144	0.2	625
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	3470
X-RAY DIFFRACTION	r_nbd_refined	0.215	0.2	1935
X-RAY DIFFRACTION	r_nbtor_refined	0.304	0.2	2947
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.186	0.2	369
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.245	0.2	99
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.243	0.2	44
X-RAY DIFFRACTION	r_mcbond_it	1.006	1.5	2667
X-RAY DIFFRACTION	r_mcangle_it	1.442	2	4135
X-RAY DIFFRACTION	r_scbond_it	2.397	3	1916
X-RAY DIFFRACTION	r_scangle_it	3.788	4.5	1727

LS refinement shell

Resolution: 1.73→1.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.28	144	-
R_work	0.237	2830	-
all	-	2974	-
obs	-	2974	78.12 %

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	5.3031	4.4288	-1.4693	14.6034	-3.8495	14.0159	-0.0114	0.278	0.2249	-0.3465	-0.0338	0.0211	-0.3049	0.1929	0.0453	-0.0057	0.0013	-0.0089	0.0011	0.0076	-0.0099	27.126	-4.711	-10.672
2	11.1029	-0.4448	-14.2779	1.5981	5.9417	50.5989	0.2423	0.1381	0.2345	-0.0139	-0.1562	-0.0343	-0.993	-0.5605	-0.086	0.0324	0.0053	-0.0016	-0.0396	-0.0091	-0.0802	22.703	-2.311	-0.39
3	7.7162	4.5346	-1.2317	2.6812	-1.2255	15.5524	0.1875	0.3654	-0.4752	0.2073	0.0961	-0.0673	0.0117	0.1106	-0.2836	0.0098	-0.0095	0.0128	0.0193	-0.0443	-0.0437	18.104	-0.356	9.137
4	1.5327	-0.5454	0.0362	2.2768	3.7814	6.9133	0.0302	-0.011	0.1547	-0.0874	0.0148	-0.0359	-0.1138	-0.0692	-0.045	0.0133	-0.0035	0.0128	0.0168	-0.0009	-0.0204	15.045	3.771	18.86
5	4.0044	-1.0229	0.7437	1.9948	2.0656	4.485	-0.0313	0.1944	-0.1277	-0.3721	0.1783	-0.2055	-0.2189	0.4452	-0.147	-0.0061	-0.0821	0.0468	0.0708	-0.042	-0.0215	26.278	13.603	22.723
6	2.8656	-0.8	-1.0494	0.7991	1.8322	4.4994	0.0736	0.1378	-0.0491	-0.1023	0.0117	0.0117	-0.4306	-0.1464	-0.0853	0.0358	-0.0136	-0.0077	0.0083	0.0022	-0.0164	12.771	9.685	19.789
7	16.5269	5.4014	-7.1075	2.4819	-1.8593	10.3304	-0.0136	0.4012	0.754	-0.2651	0.129	0.2994	-0.2455	-0.1518	-0.1154	0.0593	0.0112	-0.0395	-0.0671	0.0425	-0.04	13.483	18.007	19.312
8	2.0677	-0.9874	-1.4311	2.5844	-1.3617	15.094	0.021	-0.0213	0.0468	-0.0517	0.0974	-0.1294	-0.3876	-0.0718	-0.1184	0.025	-0.0383	0.0185	0.025	-0.004	-0.0507	21.865	19.229	25.454
9	1.7492	0.0167	-0.8977	0.8996	1.5277	3.0845	-0.0609	0.094	-0.0194	0.1229	0.1862	0.0613	-0.1917	0.1134	-0.1254	0.0446	-0.0262	0.0188	0.0118	-0.0153	-0.0299	20.828	17.21	34.449
10	12.9405	-10.4585	0.6499	10.8376	3.6875	7.4737	0.0808	-0.2392	0.1706	0.1642	0.1137	-0.4042	-0.1643	-0.0495	-0.1946	-0.0421	-0.0536	0.0112	0.0673	-0.0695	-0.015	30.215	12.687	34.174
11	7.6376	3.4528	3.8981	8.7589	2.9304	5.8542	-0.0122	-0.0554	-0.047	0.1846	0.1333	-0.3032	0.3945	0.6234	-0.1211	-0.0781	0.0421	-0.026	0.1014	-0.0532	-0.031	32.282	1.622	29.991
12	2.8856	-1.5524	1.2332	1.6985	-0.0234	1.0819	-0.0866	-0.0101	0.0072	0.1397	0.057	-0.0413	-0.0459	-0.023	0.0296	-0.0048	0.0047	0.0127	0.0162	-0.0199	-0.0211	13.398	11.54	31.874
13	4.0981	0.4207	-1.5437	0.6034	-0.0028	2.1109	-0.0317	0.1853	0.0686	0.0029	0.1261	-0.0096	0.0503	0.1425	-0.0944	-0.0095	0.0014	0.0108	0.0489	-0.0254	-0.0179	25.631	5.144	25.115
14	23.5583	-5.5325	2.3427	10.4701	-4.7273	14.0486	-0.579	0.2986	0.5119	-0.2498	-0.1753	-0.5268	0.705	0.9765	0.7543	0.3866	0.184	0.152	-0.0002	0.0449	-0.0156	31.208	7.017	-5.504
15	3.8111	0.7581	-5.6537	7.2286	-8.7695	16.6445	0.289	-0.1746	0.4525	-0.4119	-0.1775	-0.1156	0.1664	0.1452	-0.1115	0.0581	0.0063	0.041	-0.0069	-0.0086	-0.0147	27.059	2.369	9.686
16	2.7785	1.3304	1.7978	0.9956	0.7112	1.788	0.0138	0.031	0.1303	0.1506	-0.0539	0.1298	0.1299	0.0906	0.0402	0.0219	0.0075	-0.002	0.0262	-0.0161	-0.0192	17.671	-7.244	19.41
17	11.934	6.6447	2.1408	6.6018	2.1796	2.5267	-0.1266	0.0824	0.2622	-0.1077	0.0869	0.1525	0.2554	0.0802	0.0397	0.0058	0.0142	-0.0032	-0.0053	-0.027	-0.0336	13.664	-14.434	13.327
18	2.4429	-2.3727	1.5041	3.6912	-0.927	1.1315	-0.0017	-0.0508	-0.0261	-0.0103	0.0097	0.0572	0.1482	0.3385	-0.008	0.0273	0.0278	0.007	0.0685	-0.0142	-0.0417	24.364	-10.862	22.313
19	14.6681	2.202	5.0852	0.3488	1.0756	7.0907	0.2813	0.081	-0.3866	-0.0232	-0.141	0.1378	0.5197	0.3825	-0.1403	0.0361	0.0717	-0.0313	0.0123	-0.0072	-0.0254	23.076	-18.439	16.568
20	1.1984	-0.7514	1.0112	0.472	-0.5895	3.4177	0.1309	-0.063	0.0017	0.0849	-0.0097	0.0666	0.4298	-0.086	-0.1212	0.0758	-0.0422	0.0278	0.0042	-0.0034	-0.0398	9.997	-19.827	23.747
21	13.0956	-1.0925	-0.1768	11.9469	-6.0632	3.1183	0.0402	-0.0521	-0.1464	-0.5527	0.0099	0.3382	0.0579	-0.0622	-0.0501	-0.0263	-0.0537	0.0134	0.0189	-0.0245	-0.0047	2.659	-14.755	19.976
22	4.814	1.3208	3.3741	1.6553	3.6279	8.0126	-0.0166	-0.1149	0.0619	0.0879	-0.2177	0.2231	-0.2636	-0.35	0.2343	-0.0304	0.0062	0.0211	0.0216	0.0017	0.0113	2.136	-2.981	18.578
23	5.3946	-3.4385	1.0461	3.5789	-0.9767	0.7126	0.0253	-0.0483	-0.083	0.1882	-0.0528	0.0779	0.1587	-0.0008	0.0276	0.0508	0.0111	-0.0024	-0.0083	0.0011	-0.0572	16.144	-15.021	29.136
24	1.1217	-0.2356	-0.3381	1.3137	-0.8523	0.7762	-0.1269	-0.059	0.1017	0.151	-0.0534	0.0826	0.0777	-0.0262	0.1802	0.0556	0.0041	0.011	-0.0017	-0.0256	-0.0305	10.733	-6.495	23.62
25	3.5243	0.0529	4.6673	3.2257	-0.4998	8.8024	-0.0162	0.2756	0.036	-0.1125	0.0513	-0.0878	-0.1449	0.3075	-0.035	0.002	0.0035	0.0326	0.0261	-0.0077	-0.0369	9.526	-6.312	10.421
26	2.3119	-2.6907	-0.6316	3.7878	0.959	0.2489	-0.2072	-0.1075	-0.004	0.0664	0.519	-0.1187	-0.2795	-0.0266	-0.3117	0.0545	0.0125	-0.0129	0.0392	0.0019	-0.0382	17.062	-5.668	29.87
27	11.8762	-1.8283	-3.7213	25.5129	7.8758	15.4641	0.4051	0.6972	-0.0724	-2.0433	0.0357	-0.3955	-0.3507	-0.131	-0.4408	0.205	-0.0109	0.0555	-0.0489	0.006	-0.0381	-15.297	-0.298	-12.849
28	4.3871	1.7428	1.0472	1.3107	0.4238	1.55	-0.0408	0.1744	-0.0219	-0.0618	0.0109	-0.0923	-0.1301	-0.0719	0.0299	0.0612	-0.0165	-0.0006	-0.0237	0.0118	-0.0257	-11.887	6.098	-0.466
29	12.8344	4.6884	11.131	3.1512	3.6395	9.8712	-0.3457	0.5565	0.2793	-0.1771	0.2736	0.0082	-0.556	0.3921	0.0721	0.0696	-0.0976	0.0081	-0.0268	0.0288	-0.0514	-5.92	13.661	-1.427
30	4.3369	-3.051	1.0112	2.4194	0.0798	2.5298	0.0631	0.0274	-0.062	-0.0647	-0.1332	0.2788	-0.361	-0.1809	0.07	0.0847	-0.0014	-0.0179	-0.0287	0.019	-0.0257	-19.098	8.746	0.204
31	21.0451	9.454	-11.9566	7.4467	-2.302	10.8223	0.3942	0.169	0.7375	-0.1766	-0.1667	0.385	-0.8507	-0.017	-0.2274	0.1568	0.0572	-0.0532	-0.1074	0.03	-0.0783	-16.903	17.212	-1.08
32	4.1337	3.3554	3.8101	8.8682	10.4533	12.329	-0.2286	-0.0676	-0.1091	0.3121	-0.3078	-0.1904	-1.0349	0.2495	0.5364	0.1728	-0.0387	-0.0369	-0.0829	0.0185	-0.0597	-7.271	18.477	4.569
33	3.5136	-0.2187	-0.4977	0.0739	0.4811	3.4293	0.0891	-0.1663	0.177	-0.0699	-0.0282	0.0105	-0.5546	0.0494	-0.0609	0.1642	-0.0568	-0.0152	-0.0641	-0.0109	-0.0447	-6.415	16.118	11.825
34	3.0581	-5.3111	-2.4245	10.4608	2.6648	4.7045	-0.3457	0.0475	0.1538	0.2858	0.3186	-0.6843	-0.278	0.1892	0.0272	-0.0045	-0.064	-0.0562	-0.0239	-0.0044	0.0277	3.528	8.045	7.635
35	1.945	-1.3348	1.0779	1.4248	-0.5266	0.6867	0.0049	0.0115	-0.0176	0.2502	0.2521	-0.0743	0.1351	0.0915	-0.257	0.0025	-0.0243	-0.0019	0.0188	-0.0085	0.0061	-2.753	1.055	9.496
36	4.3545	-2.0579	3.1586	4.0363	0.7045	3.867	-0.1068	-0.2291	0.1168	-0.2666	-0.0149	-0.1079	-0.5017	-0.1045	0.1217	0.1222	0.0382	0.0017	-0.0466	-0.0225	-0.0327	-19.005	15.375	10.363
37	0.9428	-1.5996	-2.1051	2.7257	3.5863	4.7186	-0.094	-0.0542	-0.0521	0.0661	0.0023	-0.068	0.0927	0.0462	0.0917	0.0467	0.0038	0.0123	-0.0166	0.0081	-0.0076	-10.045	3.934	9.088
38	1.2953	0.1913	-0.5458	0.5924	0.0521	1.8391	-0.1845	0.2465	-0.0187	-0.1303	0.0606	0.0452	-0.1016	0.0414	0.1239	0.0549	-0.0423	0.0173	0.0208	0.0245	-0.0276	-4.206	4.684	0.083
39	7.023	5.1968	-10.7147	17.7424	-12.9853	115.3882	0.222	0.1481	0.7633	-2.8913	-0.776	0.3154	0.7288	1.0017	0.554	0.4437	0.2303	0.0281	0.0841	0.1799	0.0566	-8.029	5.106	-24.678
40	11.2904	4.7297	0.8465	9.3312	-10.1237	21.8994	-0.1561	0.4837	0.1768	-0.0623	0.1035	-0.1617	0.044	0.0982	0.0526	0.0487	-0.0226	0.0138	-0.0271	0.0072	-0.0871	-7.751	0.382	-10.132
41	3.9692	1.6474	1.3962	1.3947	0.8057	0.9967	0.0131	0.0542	0.0471	-0.0448	-0.0158	0.0361	-0.0527	0.0149	0.0027	0.0229	0.0046	-0.0062	0.0086	0.0029	-0.0214	-13.057	-7.864	-2.501
42	2.8783	3.8183	-1.3273	5.2607	-2.6837	4.9699	0.0114	0.099	0.0517	-0.3002	-0.054	0.1248	0.193	0.0373	0.0427	0.0022	0.0036	-0.0033	0.0145	-0.0244	-0.0128	-19.114	-15.255	-7.068
43	1.4656	-1.733	0.5109	2.1122	-0.8854	1.4341	0.0218	0.0426	-0.097	0.1159	0.02	-0.021	-0.031	0.1645	-0.0419	0.0259	-0.0151	0.0037	0.0226	-0.0044	-0.0035	-6.81	-11.446	-0.764
44	9.9392	-0.0286	9.3434	0.1492	-0.5018	10.296	0.266	0.2665	0.0146	-0.0631	-0.0862	0.1	0.3562	0.4245	-0.1798	0.0122	0.0486	-0.0086	0.0267	-0.0205	-0.0198	-8.128	-18.774	-5.526
45	1.3928	-0.8638	0.4471	1.4446	-3.8586	14.2548	0.0475	-0.2169	0.0947	-0.0671	-0.0646	-0.0394	0.3749	0.1617	0.017	0.0501	0.0084	-0.0105	-0.015	-0.0063	-0.0129	-17.907	-21.427	-1.716
46	2.1477	-1.3356	0.3784	1.3867	1.0356	2.971	-0.0025	-0.1086	-0.0446	0.1032	0.0345	0.1146	0.119	-0.002	-0.032	0.0152	-0.0044	0.0222	-0.0101	0.0323	0.0008	-21.207	-20.378	5.987
47	2.741	-2.968	1.4409	12.3731	-3.2873	2.4089	0.132	-0.0328	-0.1646	-0.1318	-0.0867	0.2932	0.0837	-0.1831	-0.0452	-0.0587	0.0006	0.0024	0.0439	0.0065	-0.0123	-29.4	-12.226	1.093
48	2.2299	-2.1755	0.0189	2.4905	-0.7488	1.4489	-0.1234	-0.0261	0.028	0.1845	0.0845	-0.0291	-0.0028	-0.0803	0.0389	0.0108	0.0088	-0.0097	-0.0075	0.0038	0.0057	-21.902	-8.099	6.525
49	0.5809	-0.3471	-0.067	0.708	-0.4228	0.941	-0.1166	-0.0593	-0.1292	0.0696	0.0696	0.1077	-0.0939	0.0339	0.0471	0.0041	0.003	-0.006	-0.0023	-0.0026	-0.0156	-15.038	-12.475	4.002
50	4.5719	-1.6496	3.7549	2.7742	-0.1576	3.7418	0.1586	0.348	-0.081	-0.0799	-0.0258	-0.0786	-0.2281	0.2412	-0.1328	0.0439	0.0057	0.0004	0.0444	0.0041	-0.0503	-23.889	-7.263	-9.405
51	5.1055	-1.2268	2.8751	2.0423	2.4589	7.8866	0.0186	0.0361	-0.1013	0.0608	0.2081	-0.1106	-0.0934	0.1166	-0.2267	0.0173	-0.0079	-0.0143	-0.0203	0.0163	-0.0122	-12.516	-6.616	7.393

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	384 - 391	1 - 8
2	X-RAY DIFFRACTION	2	A	A	392 - 399	9 - 16
3	X-RAY DIFFRACTION	3	A	A	400 - 405	17 - 22
4	X-RAY DIFFRACTION	4	A	A	406 - 413	23 - 30
5	X-RAY DIFFRACTION	5	A	A	414 - 424	31 - 41
6	X-RAY DIFFRACTION	6	A	A	425 - 432	42 - 49
7	X-RAY DIFFRACTION	7	A	A	433 - 440	50 - 57
8	X-RAY DIFFRACTION	8	A	A	441 - 446	58 - 63
9	X-RAY DIFFRACTION	9	A	A	447 - 456	64 - 73
10	X-RAY DIFFRACTION	10	A	A	457 - 463	74 - 80
11	X-RAY DIFFRACTION	11	A	A	464 - 469	81 - 86
12	X-RAY DIFFRACTION	12	A	A	470 - 486	87 - 103
13	X-RAY DIFFRACTION	13	A	A	487 - 508	104 - 125
14	X-RAY DIFFRACTION	14	B	B	386 - 393	3 - 10
15	X-RAY DIFFRACTION	15	B	B	394 - 407	11 - 24
16	X-RAY DIFFRACTION	16	B	B	408 - 418	25 - 35
17	X-RAY DIFFRACTION	17	B	B	419 - 424	36 - 41
18	X-RAY DIFFRACTION	18	B	B	425 - 434	42 - 51
19	X-RAY DIFFRACTION	19	B	B	435 - 443	52 - 60
20	X-RAY DIFFRACTION	20	B	B	444 - 456	61 - 73
21	X-RAY DIFFRACTION	21	B	B	457 - 462	74 - 79
22	X-RAY DIFFRACTION	22	B	B	463 - 469	80 - 86
23	X-RAY DIFFRACTION	23	B	B	470 - 483	87 - 100
24	X-RAY DIFFRACTION	24	B	B	484 - 493	101 - 110
25	X-RAY DIFFRACTION	25	B	B	494 - 503	111 - 120
26	X-RAY DIFFRACTION	26	B	B	504 - 508	121 - 125
27	X-RAY DIFFRACTION	27	C	C	395 - 406	12 - 23
28	X-RAY DIFFRACTION	28	C	C	407 - 418	24 - 35
29	X-RAY DIFFRACTION	29	C	C	419 - 425	36 - 42
30	X-RAY DIFFRACTION	30	C	C	426 - 432	43 - 49
31	X-RAY DIFFRACTION	31	C	C	433 - 441	50 - 58
32	X-RAY DIFFRACTION	32	C	C	442 - 446	59 - 63
33	X-RAY DIFFRACTION	33	C	C	447 - 457	64 - 74
34	X-RAY DIFFRACTION	34	C	C	458 - 466	75 - 83
35	X-RAY DIFFRACTION	35	C	C	467 - 473	84 - 90
36	X-RAY DIFFRACTION	36	C	C	474 - 483	91 - 100
37	X-RAY DIFFRACTION	37	C	C	484 - 491	101 - 108
38	X-RAY DIFFRACTION	38	C	C	492 - 508	109 - 125
39	X-RAY DIFFRACTION	39	D	D	388 - 398	5 - 15
40	X-RAY DIFFRACTION	40	D	D	399 - 406	16 - 23
41	X-RAY DIFFRACTION	41	D	D	407 - 418	24 - 35
42	X-RAY DIFFRACTION	42	D	D	419 - 424	36 - 41
43	X-RAY DIFFRACTION	43	D	D	425 - 433	42 - 50
44	X-RAY DIFFRACTION	44	D	D	434 - 442	51 - 59
45	X-RAY DIFFRACTION	45	D	D	443 - 447	60 - 64
46	X-RAY DIFFRACTION	46	D	D	448 - 456	65 - 73
47	X-RAY DIFFRACTION	47	D	D	457 - 466	74 - 83
48	X-RAY DIFFRACTION	48	D	D	467 - 476	84 - 93
49	X-RAY DIFFRACTION	49	D	D	477 - 494	94 - 111
50	X-RAY DIFFRACTION	50	D	D	495 - 502	112 - 119
51	X-RAY DIFFRACTION	51	D	D	503 - 508	120 - 125

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