PDB-5ltv: LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID C...

ID or keywords:

Entry

Database: PDB / ID: 5ltv

Title

LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECPETOR PCTC IN COMPLEX WITH GABA

Components

Chemotactic transducer PctC

Keywords

SIGNALING PROTEIN / Ligand binding domain / Pseudomonas aeruginosa / chemotactic transducer

Function / homology

Function and homology information

amino acid binding / response to amino acid / chemotaxis / membrane => GO:0016020 / signal transduction / plasma membrane
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

SAD / Resolution: 2.31 Å

Authors

Gavira, J.A. / Rico-Jimenez, M. / Conejero-Muriel, M. / Krell, T.

Funding support

Spain, 1items

Citation

Journal: Mbio / Year: 2020
Title: How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Authors: Gavira, J.A. / Jimenez-Rico, M. / Pineda-Molina, E. / Krell, T.

History

Deposition	Sep 7, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 20, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jan 29, 2020	Group: Database references / Structure summary Category: audit_author / citation ...audit_author / citation / citation_author / struct Item: _audit_author.name / _citation.country ..._audit_author.name / _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.title / _citation.year / _struct.title
Revision 2.0	Nov 15, 2023	Group: Atomic model / Data collection / Database references Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / database_2 Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.1	Jan 17, 2024	Group: Refinement description / Category: pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	5ltv.cif.gz	620.7 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	5ltv_validation.pdf.gz	555.7 KB	Display	wwPDB validaton report
Full document	5ltv_full_validation.pdf.gz	579.4 KB	Display
Data in XML	5ltv_validation.xml.gz	64.6 KB	Display
Data in CIF	5ltv_validation.cif.gz	90.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/lt/5ltv ftp://data.pdbj.org/pub/pdb/validation_reports/lt/5ltv	HTTPS FTP

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Related structure data

Related structure data	5lt9C 5ltoC 5ltxC 5t65SC 5t7mC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2v70-2 6pyi-d 6q0g-d 3coj-7 5lg8-d 4igk-1 3np2-d 2v70-4 6tsa-d 4jkz-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) 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

5t65SC

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#167 - Nov 2013 SNARE Proteins similarity (2) #158 - Feb 2013 Proton-Gated Urea Channel similarity (8) #190 - Oct 2015 Two-component Systems similarity (5)

Deposited unit

A: Chemotactic transducer PctC

B: Chemotactic transducer PctC

C: Chemotactic transducer PctC

D: Chemotactic transducer PctC

E: Chemotactic transducer PctC

F: Chemotactic transducer PctC

G: Chemotactic transducer PctC

hetero molecules

210 kDa, 7 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Chemotactic transducer PctC

hetero molecules

defined by author
30.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Chemotactic transducer PctC

hetero molecules

defined by author
30.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Chemotactic transducer PctC

hetero molecules

defined by author
30 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Chemotactic transducer PctC

hetero molecules

defined by author
29.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Chemotactic transducer PctC

hetero molecules

defined by author
30.1 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Chemotactic transducer PctC

hetero molecules

defined by author
30 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: Chemotactic transducer PctC

hetero molecules

defined by author
30 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	209.765, 209.765, 68.885
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	172
Space group name H-M	P6₄

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Protein , 1 types, 7 molecules ABCDEFG

#1: Protein	Chemotactic transducer PctC Mass: 29712.447 Da / Num. of mol.: 7 / Fragment: ligand binding domain, UNP residues 30-281 Source method: isolated from a genetically manipulated source Details: Ligand binding region of the PctC / Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: PAMH19_3853 / Plasmid: PET28B PLUS / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A080VJ62, UniProt: Q9HW93*PLUS

#1: Protein

Chemotactic transducer PctC

Mass: 29712.447 Da / Num. of mol.: 7 / Fragment: ligand binding domain, UNP residues 30-281
Source method: isolated from a genetically manipulated source
Details: Ligand binding region of the PctC / Source: (gene. exp.)

Pseudomonas aeruginosa (bacteria) / Gene: PAMH19_3853 / Plasmid: PET28B PLUS / Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A080VJ62, UniProt: Q9HW93*PLUS

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Non-polymers , 5 types, 731 molecules

#2: Chemical	ChemComp-ABU / GAMMA-AMINO-BUTANOIC ACID / GAMMA(AMINO)-BUTYRIC ACID Mass: 103.120 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₄H₉NO₂
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₃O₂
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 704 / 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: 2.1 Å³/Da / Density % sol: 41.52 %
Crystal grow	Temperature: 293 K / Method: liquid diffusion / pH: 8.5 Details: Capillary counter diffusion: 2.0M NH4 Sulphate,0.1M Tris-HCl pH 8.50.

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID23-1 / Wavelength: 0.873 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 5, 2016

Radiation

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

Radiation wavelength

Wavelength: 0.873 Å / Relative weight: 1

Reflection

Resolution: 2.31→48.63 Å / Num. obs: 76088 / % possible obs: 99.9 % / Redundancy: 7 % / CC_1/2: 0.996 / R_merge(I) obs: 0.162 / Net I/σ(I): 9.4

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	CC_1/2	Diffraction-ID	% possible all
2.31-2.39	6.6	1.082	0.557	1	100
8.95-48.63	7	0.046	0.998	1	98.1

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Phasing

Phasing	Method: SAD

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Processing

Software

Name	Version	Classification
SCALA	0.5.21	data scaling
SHELX		phasing
PHASER		phasing
PHENIX	1.10_2155	refinement
PDB_EXTRACT	3.2	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5T65

5t65

Resolution: 2.31→48.63 Å / SU ML: 0.28 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.26

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2256	3820	5.02 %	Random
R_work	0.1772	-	-	-
obs	0.1796	76048	99.8 %	-

Solvent computation

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

Displacement parameters

B_iso max: 154.19 Å² / B_iso mean: 45.2512 Å² / B_iso min: 15.58 Å²

Refinement step

Cycle: final / Resolution: 2.31→48.63 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11516	0	163	704	12383
B_iso mean	-	-	61.34	44.16	-
Num. residues	-	-	-	-	1516

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	12347
X-RAY DIFFRACTION	f_angle_d	1.221	16844
X-RAY DIFFRACTION	f_chiral_restr	0.06	1894
X-RAY DIFFRACTION	f_plane_restr	0.008	2201
X-RAY DIFFRACTION	f_dihedral_angle_d	14.817	7337

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / 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 (%)
2.31-2.3392	0.3036	161	0.2569	2654	2815	100
2.3392-2.37	0.2922	167	0.2416	2637	2804	100
2.37-2.4025	0.2826	134	0.2365	2668	2802	100
2.4025-2.4368	0.322	147	0.2423	2626	2773	100
2.4368-2.4732	0.3095	153	0.2338	2647	2800	100
2.4732-2.5118	0.2927	145	0.2297	2658	2803	100
2.5118-2.553	0.256	139	0.2204	2688	2827	100
2.553-2.597	0.2711	138	0.2102	2643	2781	100
2.597-2.6442	0.262	140	0.2087	2673	2813	100
2.6442-2.6951	0.2519	138	0.2036	2661	2799	100
2.6951-2.7501	0.2779	140	0.2037	2664	2804	100
2.7501-2.8099	0.2836	145	0.2027	2631	2776	100
2.8099-2.8753	0.2658	135	0.2	2725	2860	100
2.8753-2.9471	0.246	148	0.1986	2647	2795	100
2.9471-3.0268	0.2453	134	0.1859	2675	2809	100
3.0268-3.1159	0.2438	122	0.1852	2684	2806	100
3.1159-3.2164	0.2646	147	0.1867	2672	2819	100
3.2164-3.3314	0.2266	140	0.1821	2680	2820	100
3.3314-3.4647	0.2199	134	0.1703	2674	2808	100
3.4647-3.6223	0.2278	132	0.1654	2692	2824	100
3.6223-3.8132	0.1834	142	0.1525	2664	2806	100
3.8132-4.0521	0.1853	126	0.1379	2699	2825	100
4.0521-4.3647	0.1826	158	0.1353	2650	2808	100
4.3647-4.8036	0.165	137	0.1313	2710	2847	100
4.8036-5.4979	0.1976	131	0.1512	2709	2840	100
5.4979-6.9236	0.1998	128	0.18	2743	2871	100
6.9236-48.6407	0.2121	159	0.1867	2754	2913	99

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	0.2382	0.1308	0.1115	-0.0031	0.0383	0.042	0.0359	0.1568	0.2041	0.04	-0.0302	0.0674	-0.1019	0.0625	-0.052	0.2018	0.1046	0.0042	0.3943	0.0739	0.2903	22.6715	68.7414	53.1476
2	0.0256	-0.0115	0.0032	0.0056	-0.0052	0.0025	-0.1854	0.0365	-0.1761	0.289	0.19	0.0524	0.0221	-0.0098	-0.0001	0.2903	0.0902	-0.0262	0.3643	0.0235	0.2845	19.3212	63.4615	84.294
3	0.235	-0.1441	-0.0512	0.138	0.0292	0.2175	-0.0156	-0.0351	0.0984	0.1343	-0.0028	-0.1039	-0.0173	0.0289	0.0001	0.1969	0.0461	-0.0239	0.2609	0.0099	0.3122	31.0064	67.2208	76.5124
4	0.1389	0.0681	-0.1059	0.1628	-0.1326	0.1428	0.0199	0.0803	0.0711	0.0637	0.0391	-0.1094	-0.0152	-0.1304	-0	0.216	0.0543	0.0026	0.2889	0.0511	0.3104	29.7427	70.1353	68.3757
5	0.0349	0.0097	-0.0449	0.0724	-0.0902	0.1488	0.1281	0.2482	0.2716	-0.139	0.2459	-0.4171	-0.0273	0.0295	0.0001	0.323	0.0075	0.0702	0.336	0.0946	0.444	36.6068	71.2946	50.8735
6	0.0094	-0.0136	-0.0312	0.0582	0.0698	0.0841	0.074	-0.2627	-0.047	-0.4558	0.324	-0.3265	-0.4332	0.1717	-0.0003	0.4613	-0.0167	0.1201	0.4711	0.0011	0.5831	41.8731	77.1917	49.4663
7	0.0915	0.1027	0.1225	0.1374	0.1426	0.1622	0.0465	0.4793	0.4687	0.082	0.537	0.196	-0.4612	-0.072	0.137	0.4108	0.0175	0.1085	0.5561	0.1579	0.3267	31.8711	75.7216	45.0179
8	0.2095	0.1811	-0.0538	0.2156	-0.1148	0.1673	-0.0352	-0.0126	0.0334	-0.2526	-0.0639	-0.1424	-0.308	0.1151	-0.0026	0.2546	-0.0302	-0.0154	0.3139	-0.0104	0.3161	-16.0046	60.3851	34.0073
9	0.0356	0.0025	0.0413	0.0056	0.0162	0.0495	0.2791	-0.5475	0.068	0.1796	-0.0898	-0.0285	0.0565	-0.098	0.0003	0.2436	-0.0868	0.0036	0.4292	0.006	0.3599	-19.6042	63.2095	61.4686
10	0.0988	0.0726	0.0028	0.0716	-0.0283	0.0091	0.1638	0.0199	0.141	-0.1086	-0.0762	0.1675	-0.0011	-0.0754	0.0052	0.172	-0.0248	-0.0182	0.2703	0.0319	0.3198	-23.486	59.9301	49.6621
11	0.1024	0.0338	0.1049	0.1195	0.1174	0.1915	0.1071	-0.2026	-0.1886	0.1036	0.0077	0.0114	0.1298	0.0342	-0.0002	0.2226	-0.0245	-0.0636	0.3159	0.051	0.3552	-19.5226	47.6638	54.6327
12	0.0551	-0.0643	0.0568	0.0993	-0.013	0.1472	-0.0483	-0.0349	-0.3211	-0.1935	0.1863	-0.1214	0.213	0.119	0	0.2809	-0.0468	-0.0401	0.3202	-0.0453	0.4859	-18.8846	47.5969	43.2816
13	0.1942	0.1712	-0.2096	0.076	-0.1314	0.1864	-0.0433	-0.1708	-0.1099	-0.0533	0.0335	0.0539	0.0689	-0.0709	-0.0484	0.2046	-0.0377	-0.0457	0.2512	-0.0041	0.2804	-17.0695	54.1342	45.6479
14	0.0367	-0.0109	-0.0693	0.0817	-0.0363	0.1289	-0.1856	0.235	-0.2127	-0.2485	0.2426	-0.0644	0.3074	-0.1449	-0.0001	0.55	-0.0236	0.0187	0.3339	-0.0596	0.4093	-21.2698	43.3903	27.8401
15	-0.0032	0.0008	0.0018	0.0021	-0.0007	-0.0022	0.3398	0.0578	-0.0408	-0.2108	0.1252	-0.3283	0.7662	-0.0873	-0.0016	0.8268	-0.2569	-0.0177	1.0116	-0.3275	0.7445	-15.6065	39.9699	17.8236
16	0.0261	0.0186	-0.0219	0.1116	-0.0153	0.016	-0.384	0.0148	-0.0175	-0.4033	0.2777	-0.3711	-0.0381	0.2563	-0.0051	0.5207	-0.0185	0.0201	0.5005	-0.1475	0.3537	-14.5149	50.1404	23.9811
17	0.0923	-0.0278	0.0551	0.4084	0.0816	0.0476	0.0959	0.1776	0.0917	-0.0007	0.0681	0.1049	-0.0009	0.1166	0.1292	0.0726	0.0125	-0.0551	0.5239	0.0938	0.1191	18.5352	59.1691	53.0312
18	0.3737	-0.1151	0.2967	0.2292	-0.1647	0.3508	0.0764	-0.2586	-0.0557	-0.0371	-0.0422	0.2071	0.0899	-0.2637	0.0359	0.1536	-0.0103	-0.0404	0.3674	0.0445	0.2692	1.2381	57.3182	70.8102
19	0.2632	0.1392	-0.0365	0.1981	0.1596	0.381	0.1406	0.238	-0.0266	-0.0503	-0.0948	0.0137	0.0052	-0.1103	0.0011	0.247	0.0241	-0.0335	0.3836	0.0532	0.2494	6.8637	57.196	59.2722
20	0.3859	-0.0155	-0.2288	0.211	0.266	0.548	0.1032	0.6577	-0.4627	-0.1471	-0.1752	0.0338	0.0285	-0.0221	-0.0109	0.3225	0.1455	0.0125	0.8384	-0.0693	0.1535	10.9902	54.8924	37.7357
21	0.2667	-0.222	-0.1698	0.2993	-0.0331	0.1904	0.1187	-0.0602	0.0961	0.0884	-0.1106	0.0617	-0.1543	-0.0948	-0.0135	0.2705	0.0563	-0.0133	0.2679	0.0072	0.2347	7.1159	95.2758	16.105
22	0.2615	-0.2865	0.0139	0.4427	0.0086	0.2114	0.0205	-0.0631	0.0045	-0.0106	-0.0295	0.0329	0.1885	0.2146	-0.0494	0.273	0.053	-0.0293	0.2972	0.0174	0.2658	15.2607	83.6998	19.8028
23	0.5151	0.2192	-0.4622	0.3836	-0.159	0.3689	0.0382	0.1157	0.1133	-0.0257	-0.0178	-0.0086	0.1669	0.1045	0.0379	0.2469	0.0551	-0.0219	0.2912	0.0034	0.2246	10.1928	91.1645	9.8648
24	0.1459	-0.0563	-0.0824	0.1031	-0.0332	0.0962	0.0633	0.331	0.014	-0.3771	-0.0814	-0.0211	0.1938	0.1951	0.0001	0.3843	0.0674	0.0164	0.3876	-0.0212	0.2979	16.4912	89.2069	-6.9337
25	0.2316	0.186	-0.0731	0.1345	-0.0875	0.0751	0.1642	0.2107	0.0825	-0.131	0.0833	-0.0248	0.0342	-0.0755	0.0054	0.2663	0.0765	-0.0339	0.353	0.0177	0.1779	12.2644	98.4859	-8.4489
26	0.2601	0.1043	-0.0222	0.0971	-0.0495	0.1525	0.0804	-0.0008	-0.0891	-0.0541	0.0768	-0.0117	0.2697	-0.1271	-0.0013	0.3101	-0.0779	-0.0086	0.2404	0.0012	0.2222	-21.9743	68.0119	30.2644
27	0.0215	0.0097	0.0224	0.0113	0.0015	0.0604	-0.3752	-0.3303	0.2598	0.4783	0.0776	0.019	0.1009	0.2576	-0.0006	0.4227	-0.0257	-0.0491	0.3352	-0.0667	0.3181	-13.6363	77.3867	57.8523
28	0.1565	-0.0088	-0.03	0.2133	-0.0824	0.1955	0.0876	-0.0127	0.039	0.0999	-0.1341	-0.0261	-0.1091	0.0667	-0.0001	0.2516	-0.0329	0.0144	0.2562	0.0145	0.2646	-13.3265	83.4296	45.7482
29	0.0111	0.0096	-0.0271	0.1592	0.0282	0.0219	-0.2613	0.0116	-0.0024	-0.1111	0.2006	-0.0796	-0.0867	-0.1026	-0.0004	0.3412	0.0085	0.1046	0.4734	0.0476	0.316	-15.6444	81.7595	32.9008
30	0.1686	0.0263	0.1238	0.1036	0.0026	0.0856	-0.216	-0.0767	-0.0996	-0.0253	-0.1716	0.073	0.0399	-0.044	-0.0044	0.224	-0.0233	0.0307	0.3151	-0.0221	0.2246	-20.8325	79.9006	46.3049
31	0.0077	0.0601	0.0736	0.2076	0.0409	0.288	0.1131	0.1838	0.0515	-0.4272	-0.0417	-0.2051	-0.1927	0.3417	-0	0.3974	0.0094	0.046	0.3823	0.0296	0.1804	-15.4512	77.0344	18.0065
32	0.2341	0.0865	0.1696	0.2285	0.0895	0.1231	0.073	0.1186	-0.004	-0.3179	0.0186	0.1834	-0.2126	-0.3042	0.0508	0.4822	0.0288	-0.0461	0.4486	-0.0157	0.1897	-25.1453	75.7408	13.9627
33	0.4142	-0.42	0.0965	0.2157	0.072	0.3909	0.2615	-0.0061	-0.1168	0.0069	-0.0496	0.0789	0.025	0.0908	0.0512	0.2545	0.0383	-0.0174	0.2643	-0.0029	0.288	-2.4896	97.5066	18.4749
34	0.1682	0.0392	0.2029	0.443	-0.2225	0.3808	0.098	-0.0147	0.1173	0.1709	0.0587	0.115	-0.2005	-0.1011	0.0774	0.2418	0.0016	0.0866	0.3257	0.0439	0.3215	-7.8144	106.0399	32.4789
35	0.083	0.0187	0.0983	0.0216	0.0734	0.2471	0.0571	-0.0031	-0.0273	0.1626	-0.027	-0.0899	-0.193	-0.4872	-0.0065	0.4028	0.022	-0.0983	0.2926	0.0557	0.4568	-11.7836	105.5681	19.7671
36	0.0097	0.034	0.0464	0.0344	0.0861	0.1823	-0.0713	-0.0244	-0.0607	0.0981	0.0872	-0.0157	-0.0703	-0.0957	-0	0.2412	0.0192	0.0444	0.3176	0.043	0.3206	-8.4355	97.9479	29.259
37	0.0741	-0.0007	0.0113	0.1676	0.0375	0.0421	0.2801	0.2952	0.1475	-0.0286	-0.0723	0.1141	-0.0581	0.1967	0.0153	0.2969	0.0202	-0.0194	0.4471	0.087	0.2331	-5.7975	109.8384	2.0156
38	0.0995	-0.0249	0.1102	0.1413	0.0185	0.1162	-0.0298	0.0802	0.023	-0.2637	0.0534	0.2226	0.0127	-0.074	0.0144	0.2242	0.0288	0.0021	0.2801	0.0581	0.3431	-16.6616	113.0082	6.7497
39	0.0419	-0.0559	0.0147	0.0745	0.006	0.0271	-0.0068	0.5266	-0.0589	-0.1042	-0.1363	0.4362	0.1117	0.079	-0.0286	0.6833	-0.1666	-0.3263	0.6585	0.1473	0.5821	-21.213	107.1908	-5.8341
40	0.1148	-0.0802	0.0047	0.112	0.0787	0.0841	0.3303	0.2537	-0.147	-0.181	0.0143	0.2267	0.2003	-0.0942	-0.0002	0.3905	0.0841	-0.0394	0.3137	0.0332	0.3123	-13.8088	101.9835	1.5857
41	0.3854	-0.1454	0.0299	0.3892	-0.2188	0.2184	-0.2027	-0.1162	0.0455	-0.0401	0.1889	0.0547	0.1725	0.203	0.0065	0.1859	0.1058	0.0165	0.3245	0.0266	0.2748	50.8965	95.6123	19.2278
42	0.642	-0.0427	0.3038	0.4629	0.0188	0.5735	0.0155	0.171	0.1201	-0.0692	0.0669	0.1068	-0.1086	-0.0269	0.0001	0.2288	0.0116	-0.0085	0.2589	0.0386	0.3064	40.9764	98.4294	0.5108
43	1.1458	0.6426	0.0768	0.9639	0.1683	0.9043	-0.9694	-0.2179	-0.0749	-0.2174	0.0833	0.431	0.1578	0.017	-0.7768	0.0847	0.2305	0.2359	0.2968	-0.1394	0.424	39.4006	100.918	28.9445

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 40 through 76 )	A	40 - 76
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 77 through 90 )	A	77 - 90
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 91 through 138 )	A	91 - 138
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 139 through 186 )	A	139 - 186
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 187 through 211 )	A	187 - 211
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 212 through 232 )	A	212 - 232
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 233 through 265 )	A	233 - 265
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 44 through 77 )	B	44 - 77
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 78 through 90 )	B	78 - 90
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 91 through 106 )	B	91 - 106
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 107 through 138 )	B	107 - 138
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 139 through 155 )	B	139 - 155
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 156 through 186 )	B	156 - 186
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 187 through 222 )	B	187 - 222
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 223 through 244 )	B	223 - 244
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 245 through 266 )	B	245 - 266
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 41 through 77 )	C	41 - 77
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 78 through 138 )	C	78 - 138
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 139 through 188 )	C	139 - 188
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 189 through 265 )	C	189 - 265
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 41 through 90 )	D	41 - 90
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 91 through 155 )	D	91 - 155
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 156 through 201 )	D	156 - 201
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 202 through 232 )	D	202 - 232
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 233 through 266 )	D	233 - 266
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 41 through 77 )	E	41 - 77
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 78 through 90 )	E	78 - 90
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 91 through 138 )	E	91 - 138
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 139 through 155 )	E	139 - 155
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 156 through 178 )	E	156 - 178
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 179 through 222 )	E	179 - 222
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 223 through 266 )	E	223 - 266
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 41 through 90 )	F	41 - 90
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 91 through 138 )	F	91 - 138
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 139 through 155 )	F	139 - 155
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 156 through 178 )	F	156 - 178
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 179 through 201 )	F	179 - 201
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 202 through 222 )	F	202 - 222
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 223 through 243 )	F	223 - 243
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 244 through 266 )	F	244 - 266
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 42 through 77 )	G	42 - 77
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 78 through 177 )	G	78 - 177
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 178 through 264 )	G	178 - 264

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