PDB-3on4: Crystal structure of TetR transcriptional regulator from Legionel...

ID or keywords:

Entry

Database: PDB / ID: 3on4

Title

Crystal structure of TetR transcriptional regulator from Legionella pneumophila

Components

Transcriptional regulator, TetR family

Keywords

TRANSCRIPTION / Structural Genomics / PSI-2 / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG / transcriptional regulator

Function / homology

Function and homology information

Biological species

Legionella pneumophila subsp. pneumophila str. Philadelphia 1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.85 Å

Authors

Michalska, K. / Li, H. / Gu, M. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: Crystal structure of TetR transcriptional regulator from Legionella pneumophila
Authors: Michalska, K. / Li, H. / Gu, M. / Joachimiak, A.

History

Deposition	Aug 27, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 22, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3on4.cif.gz	628.9 KB	Display	PDBx/mmCIF format
PDB format	pdb3on4.ent.gz	545.1 KB	Display	PDB format
PDBx/mmJSON format	3on4.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3on4_validation.pdf.gz	487.6 KB	Display	wwPDB validaton report
Full document	3on4_full_validation.pdf.gz	498.8 KB	Display
Data in XML	3on4_validation.xml.gz	59.6 KB	Display
Data in CIF	3on4_validation.cif.gz	85.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/on/3on4 ftp://data.pdbj.org/pub/pdb/validation_reports/on/3on4	HTTPS FTP

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Related structure data

Similar structure data	4dlq-d 3hta-1 3hta-2 3eup-d 4b86-2 1nkz-d 5haw-1 5xay-2 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) 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: APC88327

Similar structure data

Other databases

TargetDB: APC88327

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Transcriptional regulator, TetR family

B: Transcriptional regulator, TetR family

C: Transcriptional regulator, TetR family

D: Transcriptional regulator, TetR family

E: Transcriptional regulator, TetR family

F: Transcriptional regulator, TetR family

G: Transcriptional regulator, TetR family

H: Transcriptional regulator, TetR family

hetero molecules

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

1

A: Transcriptional regulator, TetR family

B: Transcriptional regulator, TetR family

hetero molecules

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

2

C: Transcriptional regulator, TetR family

H: Transcriptional regulator, TetR family

hetero molecules

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

3

D: Transcriptional regulator, TetR family

G: Transcriptional regulator, TetR family

hetero molecules

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

4

E: Transcriptional regulator, TetR family

F: Transcriptional regulator, TetR family

hetero molecules

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

Unit cell

Length a, b, c (Å)	81.38, 124.99, 151.38
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Transcriptional regulator, TetR family Mass: 21409.781 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Legionella pneumophila subsp. pneumophila str. Philadelphia 1 (bacteria) Gene: lpg1967 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 Magic / References: UniProt: Q5ZU41
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#3: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 844 / 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: 2.25 Å³/Da / Density % sol: 45.27 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.2 M Li2SO4, 0.1 M Tris/HCl, 40% (w/v) PEG400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 0.97967 Å
Detector	Type: ADSC QUANTUM 210r / Detector: CCD / Date: Jul 29, 2010 / Details: mirrors
Radiation	Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97967 Å / Relative weight: 1
Reflection	Resolution: 1.85→50 Å / Num. all: 139276 / Num. obs: 130984 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 4.8 % / B_iso Wilson estimate: 22 Å² / R_merge(I) obs: 0.082 / Net I/σ(I): 21.5
Reflection shell	Resolution: 1.85→1.88 Å / Redundancy: 4.8 % / R_merge(I) obs: 0.734 / Mean I/σ(I) obs: 2.4 / Num. unique all: 6468 / % possible all: 99.9

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
SHELX		model building
MLPHARE		phasing
DM		model building
ARP/wARP		model building
Coot		model building
REFMAC	5.5.0109	refinement
HKL-3000		data reduction
HKL-3000		data scaling
SHELX		phasing
DM		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.85→48.19 Å / Cor.coef. F_o:F_c: 0.962 / Cor.coef. F_o:F_c free: 0.941 / SU B: 6.231 / SU ML: 0.086 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.134 / ESU R Free: 0.127 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21781	1310	1 %	RANDOM
R_work	0.1791	-	-	-
all	0.17947	130318	-	-
obs	0.17947	130318	99.72 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 21.748 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.18 Å²	0 Å²	0 Å²
2-	-	-0.69 Å²	0 Å²
3-	-	-	0.51 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→48.19 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11750	0	11	844	12605

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	12250
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	8156
X-RAY DIFFRACTION	r_angle_refined_deg	1.117	1.952	16567
X-RAY DIFFRACTION	r_angle_other_deg	0.857	3	20091
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.785	5	1549
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.143	25.558	538
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.361	15	2248
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.374	15	31
X-RAY DIFFRACTION	r_chiral_restr	0.072	0.2	1905
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	13637
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2402
X-RAY DIFFRACTION	r_mcbond_it	0.564	1.5	7611
X-RAY DIFFRACTION	r_mcbond_other	0.185	1.5	3117
X-RAY DIFFRACTION	r_mcangle_it	1.005	2	12285
X-RAY DIFFRACTION	r_scbond_it	1.808	3	4639
X-RAY DIFFRACTION	r_scangle_it	2.841	4.5	4282

LS refinement shell

Resolution: 1.85→1.898 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.296	92	-
R_work	0.237	9463	-
obs	-	9463	99.13 %

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	6.169	6.0205	-7.932	10.1034	-12.3983	15.3618	0.4848	-0.5551	0.4497	0.8919	-0.0245	0.4063	-1.017	0.1518	-0.4603	0.2739	0.0371	0.1141	0.1431	-0.0781	0.3165	46.1974	66.676	7.4064
2	5.6858	2.8208	-0.5054	2.5905	-0.5426	0.7593	-0.1019	0.0795	-0.1552	-0.2628	0.1688	0.115	0.2188	-0.0522	-0.0669	0.0986	-0.0058	-0.0434	0.048	0.0039	0.0524	57.6852	71.0309	-8.4987
3	7.0972	8.2054	7.0001	23.5742	8.7732	12.9791	-0.1862	0.0399	0.6057	-0.7624	0.0463	2.0992	-0.4252	-0.8178	0.1399	0.0745	0.0087	-0.132	0.151	0.0993	0.416	45.4236	74.5164	-9.5509
4	4.8884	-0.836	4.6005	1.7077	-1.6911	8.8361	0.0334	-0.5522	-0.028	0.1565	0.0096	0.1862	0.0089	-0.1144	-0.043	0.046	0.0089	0.0348	0.1598	-0.0266	0.0753	60.6853	78.0403	5.6975
5	1.6607	-0.1005	0.6375	1.2963	-0.2392	2.3701	-0.0408	-0.3663	0.021	0.2373	0.0218	-0.0113	-0.1621	-0.0523	0.019	0.0534	0.0086	0.0054	0.1349	-0.012	0.0244	71.3386	78.9346	5.7829
6	2.8017	1.053	1.3091	7.0301	5.6281	8.6558	-0.0227	-0.1582	0.1077	0.1245	-0.002	-0.0695	-0.1784	0.2657	0.0247	0.0299	0.0027	-0.0084	0.0975	0.0048	0.012	79.9545	80.7635	5.2548
7	5.8235	-0.2485	0.2906	8.3983	5.5788	15.3522	-0.0363	-0.2986	-0.2212	0.4364	-0.1232	-0.1336	0.5463	0.3051	0.1596	0.0483	0.0416	-0.0214	0.1808	0.0698	0.1384	84.6154	70.6307	6.7094
8	9.8619	6.965	-4.5839	6.413	-4.1323	4.793	-0.1122	0.0797	-0.3535	-0.3489	-0.0659	-0.8302	0.0131	0.3832	0.1781	0.1577	0.0374	0.0948	0.1707	-0.0396	0.3143	87.861	89.9647	-35.3414
9	1.3267	-0.0619	-0.0393	2.1435	-1.46	3.9095	-0.0138	0.0928	-0.0106	-0.0604	0.0103	0.094	0.0673	-0.0075	0.0035	0.0326	0.0056	-0.0047	0.035	-0.0165	0.0154	74.039	82.6877	-27.033
10	6.2568	2.643	6.4096	3.132	2.5779	7.9805	-0.0081	0.4329	0.0813	-0.0512	0.0345	-0.3383	-0.264	1.0263	-0.0264	0.108	-0.0689	0.0586	0.3996	0.0055	0.13	95.7196	82.452	-15.952
11	1.8441	0.2199	0.7819	1.0591	0.3025	1.5824	-0.0473	0.0464	-0.1459	-0.03	0.0521	-0.2625	0.0373	0.3249	-0.0048	0.0578	0.016	0.0177	0.1306	0.0013	0.0812	86.1998	78.9445	-10.7475
12	14.5978	14.2924	-11.2042	30.3373	-10.3984	27.3124	-0.9125	-0.1621	-0.9391	0.4455	0.1626	-2.2667	0.9284	1.1723	0.7499	0.2198	0.1566	-0.1174	0.3904	-0.0097	0.4818	100.8197	70.0565	0.2684
13	4.4964	-1.6179	1.0402	2.6328	-0.4535	2.3895	0.0062	-0.2176	0.0456	0.0852	0.0224	-0.1741	-0.0935	0.1886	-0.0286	0.0154	-0.0167	-0.0043	0.0975	-0.0044	0.0136	83.5869	82.5693	-0.833
14	15.5352	1.5371	-0.3518	17.1203	-5.6871	14.5439	-0.2069	-0.4884	0.1564	0.6667	-0.1938	-1.4004	0.0399	0.6459	0.4007	0.0959	0.0077	-0.0948	0.2954	-0.0168	0.1556	94.3974	83.3859	4.8076
15	6.5059	3.748	-1.0732	17.4522	-12.141	10.1552	0.21	-0.8609	-0.0741	1.2004	-0.063	0.5313	-0.4538	-0.0964	-0.147	0.2207	0.0689	0.094	0.2196	-0.0134	0.1269	87.4153	66.2799	-30.6132
16	3.3926	1.1271	0.4107	2.427	0.3973	1.3188	-0.0266	-0.0984	0.0164	-0.1908	0.0367	-0.0878	-0.0598	-0.0579	-0.0102	0.0821	0.0278	0.0189	0.0381	0.0014	0.0386	95.1674	73.6247	-41.4666
17	7.2276	-1.3863	1.5247	4.4565	0.5802	10.0926	0.0192	-0.93	-0.285	0.041	0.1105	-0.0652	0.1355	-0.5177	-0.1296	0.178	-0.0479	-0.0233	0.3069	0.0581	0.1258	114.9754	72.0732	-18.625
18	2.4613	-1.8516	0.3889	3.4705	-0.149	1.201	0.0226	-0.0743	0.0853	0.0558	-0.0221	-0.0508	-0.0384	0.0585	-0.0005	0.0338	-0.0064	0.0075	0.0633	-0.0249	0.1392	108.5247	75.2113	-39.2293
19	9.2084	-1.3197	8.673	3.1691	-4.2284	13.4247	-0.3275	-0.7563	0.3927	0.4413	0.1251	0.0652	-0.6838	-0.2404	0.2024	0.1246	0.0148	0.0393	0.1806	-0.0758	0.1176	111.3844	83.4334	-26.8771
20	1.6913	-0.3866	0.8132	7.7319	7.4454	10.7958	-0.0318	-0.1722	-0.0138	0.2777	0.1427	0.0375	-0.1406	0.2814	-0.111	0.0983	0.0007	-0.0034	0.1042	-0.0289	0.0758	120.4038	80.4521	-30.585
21	4.6341	0.6017	0.6094	8.3655	6.439	18.1222	0.1615	-0.1593	-0.4212	0.4914	0.0191	-0.1603	0.5501	0.4233	-0.1806	0.0854	0.057	-0.0447	0.1853	-0.0054	0.188	124.5912	69.7269	-32.6117
22	8.8296	14.8584	8.2057	40.8388	38.3605	45.6944	1.3473	-1.1514	-1.0324	1.6117	-0.9639	-1.3792	0.2634	0.3923	-0.3833	0.3842	-0.2087	-0.3273	0.3378	0.3077	0.4627	75.8193	58.2539	4.7315
23	5.8352	3.531	0.4106	4.8507	0.218	0.6383	-0.3095	0.1214	-0.1448	-0.6659	0.1358	-0.1673	0.1412	0.0796	0.1737	0.1715	0.0284	0.0757	0.038	0.0277	0.0928	66.6187	54.4847	-7.5646
24	3.2353	0.1015	-1.6967	2.1803	-0.2253	2.0529	0.0701	-0.4858	0.0662	0.0209	-0.116	-0.3928	-0.0137	0.2409	0.0459	0.0804	0.0276	0.0073	0.1478	0.0276	0.182	65.8609	49.3615	4.1984
25	1.5085	-0.049	-0.714	2.0818	-0.5154	1.496	0.0116	-0.1539	-0.0563	0.0614	0.0115	-0.0266	0.0916	0.0899	-0.0231	0.0325	0.0096	-0.0059	0.0549	0.0027	0.0781	53.4521	48.953	3.03
26	12.0869	-0.2466	-6.4222	8.6644	0.7676	14.4864	-0.0332	-0.4524	-0.4343	0.6012	-0.0202	0.0261	0.5677	0.1738	0.0533	0.0991	0.0116	0.0029	0.1105	0.0237	0.0426	48.9365	42.7977	15.0356
27	1.5911	1.0601	-1.0938	7.8528	-6.2244	7.9082	-0.0484	-0.0727	0.0024	0.0773	0.2667	0.1787	0.1286	-0.3253	-0.2182	0.0286	0.0129	0.0002	0.0635	-0.0023	0.0706	43.2774	45.3639	6.3738
28	6.8186	1.4015	-1.5158	8.4622	-4.4555	12.156	0.1592	-0.1095	0.127	0.4486	0.0445	0.5114	-0.5118	-0.3255	-0.2037	0.0695	0.0315	0.0351	0.0725	-0.023	0.204	38.7803	55.9836	5.7578
29	19.974	-16.158	8.2066	15.043	-9.2079	6.9689	-0.3117	-0.4485	1.1509	0.4708	-0.0937	-1.0996	-0.3941	0.6983	0.4055	0.2442	-0.0707	-0.0934	0.4536	-0.3085	0.42	87.8194	98.6252	-4.8152
30	1.2868	-0.6686	0.3675	2.5765	-2.2331	3.3595	-0.0125	-0.2152	0.0598	0.3141	0.1327	0.0871	-0.1915	-0.0812	-0.1202	0.1139	-0.0149	0.0227	0.0601	-0.0298	0.0294	73.3071	104.9416	-11.8609
31	14.6524	-3.9968	-10.0454	1.8493	2.6992	6.8923	-0.0006	-0.8238	-0.0585	0.1011	-0.0433	-0.2459	0.0018	0.6057	0.0439	0.1109	-0.0095	-0.0612	0.3668	0.0011	0.1333	92.2765	107.6918	-22.0614
32	1.5076	-0.253	-0.6866	0.9347	0.1968	1.0076	-0.0278	-0.0504	0.0582	0.0806	0.0569	-0.1879	-0.0177	0.1892	-0.0291	0.0435	-0.0177	-0.0113	0.0755	-0.0205	0.0425	84.1524	107.7608	-28.5167
33	9.5055	0.8991	-4.6363	4.9992	-1.1388	6.3465	0.0918	-0.122	0.6015	-0.1698	0.0962	-0.2837	-0.366	0.4288	-0.188	0.0718	-0.0642	-0.0033	0.1322	-0.0649	0.1338	94.1068	116.3178	-33.1596
34	4.7225	2.0855	-1.5938	3.3361	-0.799	2.3373	-0.0825	0.2165	-0.0889	-0.1156	0.1068	-0.1759	0.1081	0.0798	-0.0243	0.0125	0.0006	0.0045	0.0697	-0.0242	0.0158	83.9924	105.4169	-39.3402
35	21.3537	1.7826	0.3518	53.8932	-6.3406	20.166	-0.2544	0.9727	0.2189	-0.451	-0.4264	-2.9608	-0.7322	1.4539	0.6808	0.0942	-0.0597	0.0685	0.2907	0.0369	0.2426	96.2161	107.4252	-46.0296
36	5.9549	2.5821	0.7721	4.3777	0.2704	1.7603	-0.0818	-0.1101	0.0631	-0.031	0.0953	-0.3341	-0.0583	0.1788	-0.0135	0.0453	0.025	0.0362	0.051	0.0044	0.0729	108.2472	54.6158	-43.1051
37	4.8724	0.0629	-1.9006	2.8617	0.3558	3.8627	0.0905	-0.1519	-0.0907	-0.1364	-0.0365	-0.6404	0.12	0.3828	-0.0541	0.0305	0.0352	0.0307	0.071	0.0153	0.1475	111.212	46.7739	-42.3052
38	9.4299	-1.5114	-3.7694	1.4756	1.4103	6.5105	-0.0183	-0.546	0.1913	0.2206	0.0688	-0.0734	-0.3012	0.2038	-0.0506	0.131	0.026	0.0109	0.1497	-0.0041	0.0578	93.303	51.0035	-19.264
39	1.5631	-1.0708	-0.7582	3.3177	0.7983	1.7281	0.0011	-0.1712	0.0433	0.1188	0.0993	-0.2157	0.0557	0.0385	-0.1004	0.0131	0.0106	-0.0023	0.0472	0.0157	0.0282	95.2113	48.0848	-38.1057
40	6.5567	-0.4184	-6.5108	3.6859	2.9371	16.7054	-0.2519	-0.3274	-0.3766	0.2624	0.095	-0.0878	0.6255	0.2778	0.1569	0.0483	0.017	-0.0041	0.0649	0.0327	0.0359	91.9988	40.6387	-25.5581
41	1.7619	1.1919	-0.8272	8.2655	-7.9514	10.3254	0.0049	-0.1049	-0.1135	0.2032	0.1073	0.1165	0.0411	-0.3005	-0.1121	0.0375	0.0099	0.0098	0.069	0.0151	0.0132	83.6797	44.273	-30.0047
42	4.8742	1.3763	-2.355	8.6065	-7.9684	15.6125	0.0311	-0.2489	0.0395	0.6746	0.0742	0.2184	-0.6341	-0.3237	-0.1052	0.0816	0.0581	0.0376	0.1188	0.0075	0.0878	79.4364	54.7747	-29.4963
43	2.2126	-0.2866	0.8613	5.1701	-2.0289	6.6042	0.2004	-0.0083	-0.0728	0.2732	-0.0382	0.1906	0.1827	0.5299	-0.1622	0.1076	-0.0229	0.0453	0.0836	-0.0307	0.195	118.746	101.0568	-50.1129
44	3.5413	0.3981	-2.1584	1.4979	-0.9418	2.3527	0.0814	0.0077	-0.2292	0.1241	-0.0645	0.2751	-0.0606	0.2235	-0.0169	0.1114	-0.0205	-0.0168	0.1195	-0.0451	0.1825	122.9943	105.7116	-54.3334
45	1.6585	-0.6001	-0.3093	3.5721	0.7415	1.9706	0.077	-0.0153	0.0079	0.0736	0.0465	0.1523	-0.0246	0.1357	-0.1235	0.1313	-0.0081	-0.0401	0.0745	-0.0073	0.0959	119.1178	109.111	-62.3893
46	10.5345	-2.1943	-4.9445	10.8324	0.0512	10.8786	0.2047	-0.2975	0.802	0.3155	-0.1821	-0.3218	-0.5131	0.4885	-0.0226	0.0734	-0.0469	-0.0366	0.1599	-0.0308	0.1142	133.3786	115.0422	-66.7548
47	21.4342	-10.3815	-0.6054	46.6528	-7.218	10.7416	-0.2531	0.8502	0.5875	-0.4898	-0.3992	-1.7426	-0.3598	0.504	0.6524	0.15	-0.1077	0.0841	0.3646	0.0536	0.3431	139.7078	118.7214	-75.1826
48	10.1951	7.8845	0.4986	9.1045	-0.1314	2.3436	0.4066	0.2488	0.2137	0.4375	-0.0524	-0.0515	0.1628	0.2877	-0.3542	0.1012	0.0399	-0.0414	0.0841	-0.0375	0.1025	124.4114	110.7503	-73.4303
49	27.8013	3.9562	-2.7809	8.3741	-0.3249	6.6968	0.4519	1.3596	-1.9504	0.2036	0.0769	-1.0204	0.192	0.4607	-0.5288	0.138	0.1308	-0.1181	0.304	-0.2109	0.3113	126.271	102.1195	-78.8383
50	14.7176	17.1558	-7.5857	23.4889	-11.1063	5.3951	-0.2655	0.3486	-0.0089	-1.1187	0.0722	-0.2882	0.6219	0.1001	0.1933	0.3767	0.0071	-0.0053	0.2752	-0.0532	0.1845	124.9288	89.6213	-71.2197
51	1.0028	0.1235	0.2613	1.4684	-0.2582	3.7271	0.084	0.1242	0.0334	-0.0555	0.1137	0.2014	0.131	-0.1277	-0.1977	0.258	0.0135	-0.1143	0.0833	-0.008	0.2172	113.2432	82.8879	-65.0437
52	14.1508	2.9557	12.0549	4.7584	3.553	10.562	-0.0079	1.1839	0.4494	-0.8975	-0.1478	-0.7864	-0.2498	1.0459	0.1557	0.3348	0.0233	0.1382	0.697	0.0702	0.2434	134.6032	82.0529	-53.5509
53	1.3872	0.735	0.697	4.4481	-0.4771	2.4794	0.0477	0.0808	-0.1167	-0.3766	-0.0087	-0.2294	0.2325	0.5068	-0.039	0.1234	0.0517	0.0011	0.1602	-0.0404	0.0839	125.2358	78.514	-48.8672
54	6.1858	10.8435	-5.2189	26.9614	-5.6505	29.8813	0.2609	-0.5921	-1.4724	1.4418	-1.3417	-3.2624	0.9868	1.1486	1.0808	0.3924	0.2124	-0.5129	0.5262	0.0434	1.4185	140.7325	70.0071	-38.1745
55	7.5115	-5.2837	-0.0333	10.0373	-0.1792	2.1345	0.1841	-0.1539	-0.0302	-0.013	-0.1031	-0.3174	0.1056	0.3444	-0.081	0.0629	0.0098	-0.0349	0.1163	-0.0453	0.0674	125.1928	77.388	-39.9417
56	23.0778	-6.7013	3.4123	10.6501	-2.0499	6.6217	0.0532	-0.8087	0.8308	0.5464	-0.1345	-0.7976	-0.2886	0.3009	0.0813	0.2007	-0.0749	-0.0451	0.2267	-0.073	0.0973	126.9885	86.2463	-34.7978

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-1 - 10
2	X-RAY DIFFRACTION	2	A	11 - 39
3	X-RAY DIFFRACTION	3	A	40 - 47
4	X-RAY DIFFRACTION	4	A	48 - 78
5	X-RAY DIFFRACTION	5	A	79 - 144
6	X-RAY DIFFRACTION	6	A	145 - 169
7	X-RAY DIFFRACTION	7	A	170 - 188
8	X-RAY DIFFRACTION	8	B	0 - 10
9	X-RAY DIFFRACTION	9	B	11 - 60
10	X-RAY DIFFRACTION	10	B	61 - 79
11	X-RAY DIFFRACTION	11	B	80 - 139
12	X-RAY DIFFRACTION	12	B	140 - 147
13	X-RAY DIFFRACTION	13	B	148 - 179
14	X-RAY DIFFRACTION	14	B	180 - 188
15	X-RAY DIFFRACTION	15	C	2 - 10
16	X-RAY DIFFRACTION	16	C	11 - 69
17	X-RAY DIFFRACTION	17	C	70 - 88
18	X-RAY DIFFRACTION	18	C	89 - 121
19	X-RAY DIFFRACTION	19	C	122 - 142
20	X-RAY DIFFRACTION	20	C	143 - 168
21	X-RAY DIFFRACTION	21	C	169 - 188
22	X-RAY DIFFRACTION	22	D	3 - 10
23	X-RAY DIFFRACTION	23	D	11 - 39
24	X-RAY DIFFRACTION	24	D	40 - 79
25	X-RAY DIFFRACTION	25	D	80 - 128
26	X-RAY DIFFRACTION	26	D	129 - 142
27	X-RAY DIFFRACTION	27	D	143 - 169
28	X-RAY DIFFRACTION	28	D	170 - 188
29	X-RAY DIFFRACTION	29	E	1 - 10
30	X-RAY DIFFRACTION	30	E	11 - 54
31	X-RAY DIFFRACTION	31	E	55 - 78
32	X-RAY DIFFRACTION	32	E	79 - 125
33	X-RAY DIFFRACTION	33	E	126 - 147
34	X-RAY DIFFRACTION	34	E	148 - 183
35	X-RAY DIFFRACTION	35	E	184 - 188
36	X-RAY DIFFRACTION	36	F	3 - 39
37	X-RAY DIFFRACTION	37	F	40 - 63
38	X-RAY DIFFRACTION	38	F	64 - 87
39	X-RAY DIFFRACTION	39	F	88 - 124
40	X-RAY DIFFRACTION	40	F	125 - 142
41	X-RAY DIFFRACTION	41	F	143 - 169
42	X-RAY DIFFRACTION	42	F	170 - 188
43	X-RAY DIFFRACTION	43	G	2 - 26
44	X-RAY DIFFRACTION	44	G	27 - 88
45	X-RAY DIFFRACTION	45	G	89 - 128
46	X-RAY DIFFRACTION	46	G	129 - 139
47	X-RAY DIFFRACTION	47	G	140 - 147
48	X-RAY DIFFRACTION	48	G	148 - 168
49	X-RAY DIFFRACTION	49	G	169 - 188
50	X-RAY DIFFRACTION	50	H	2 - 10
51	X-RAY DIFFRACTION	51	H	11 - 58
52	X-RAY DIFFRACTION	52	H	59 - 81
53	X-RAY DIFFRACTION	53	H	82 - 139
54	X-RAY DIFFRACTION	54	H	140 - 147
55	X-RAY DIFFRACTION	55	H	148 - 168
56	X-RAY DIFFRACTION	56	H	169 - 188

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