PDB-5heo: Pentameric ligand-gated ion channel ELIC mutant P254G

ID or keywords:

Entry

Database: PDB / ID: 5heo

Title

Pentameric ligand-gated ion channel ELIC mutant P254G

Components

Gamma-aminobutyric-acid receptor subunit beta-1

Keywords

TRANSPORT PROTEIN / Pentameric ligand-gated ion channels / Membrane protein / Ligand-gated ion channel

Function / homology

Function and homology information

extracellular ligand-gated monoatomic ion channel activity / regulation of membrane potential / transmembrane signaling receptor activity / neuron projection / signal transduction / identical protein binding / membrane
Similarity search - Function

Biological species

Dickeya dadantii (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.3 Å

Authors

Bertozzi, C. / Dutzler, R.

Funding support

Switzerland, 1items

Citation

Journal: Plos Biol. / Year: 2016
Title: Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Authors: Bertozzi, C. / Zimmermann, I. / Engeler, S. / Hilf, R.J. / Dutzler, R.

History

Deposition	Jan 6, 2016	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Mar 2, 2016	Provider: repository / Type: Initial release
Revision 1.1	Mar 16, 2016	Group: Database references
Revision 1.2	Jan 10, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5heo.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb5heo.ent.gz	1 MB	Display	PDB format
PDBx/mmJSON format	5heo.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5heo_validation.pdf.gz	512.3 KB	Display	wwPDB validaton report
Full document	5heo_full_validation.pdf.gz	564.4 KB	Display
Data in XML	5heo_validation.xml.gz	102.7 KB	Display
Data in CIF	5heo_validation.cif.gz	132.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/he/5heo ftp://data.pdbj.org/pub/pdb/validation_reports/he/5heo	HTTPS FTP

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Related structure data

Related structure data	5hegC 5hehC 5hejC 5heuC 5hewC 2yn6S 2vlo S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5hej-1 5heu-2 5lid-2 3rqu-1 2yoe-2 3rqu-2 4twh-2 4a97-1 6hk0-1 2yoe-1 6v0b-d 3uq4-2 3uq7-1 3uq5-2 3uq4-1 4a98-1 5sxv-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

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	#191 - Nov 2015 Glutamate-gated Chloride Receptors similarity (5) #71 - Nov 2005 Acetylcholine Receptor similarity (5)

Deposited unit

A: Gamma-aminobutyric-acid receptor subunit beta-1

B: Gamma-aminobutyric-acid receptor subunit beta-1

C: Gamma-aminobutyric-acid receptor subunit beta-1

D: Gamma-aminobutyric-acid receptor subunit beta-1

E: Gamma-aminobutyric-acid receptor subunit beta-1

F: Gamma-aminobutyric-acid receptor subunit beta-1

G: Gamma-aminobutyric-acid receptor subunit beta-1

H: Gamma-aminobutyric-acid receptor subunit beta-1

I: Gamma-aminobutyric-acid receptor subunit beta-1

J: Gamma-aminobutyric-acid receptor subunit beta-1

368 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Gamma-aminobutyric-acid receptor subunit beta-1

B: Gamma-aminobutyric-acid receptor subunit beta-1

C: Gamma-aminobutyric-acid receptor subunit beta-1

D: Gamma-aminobutyric-acid receptor subunit beta-1

E: Gamma-aminobutyric-acid receptor subunit beta-1

defined by software
184 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: Gamma-aminobutyric-acid receptor subunit beta-1

G: Gamma-aminobutyric-acid receptor subunit beta-1

H: Gamma-aminobutyric-acid receptor subunit beta-1

I: Gamma-aminobutyric-acid receptor subunit beta-1

J: Gamma-aminobutyric-acid receptor subunit beta-1

defined by software
184 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	104.950, 266.570, 110.690
Angle α, β, γ (deg.)	90.00, 109.33, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Gamma-aminobutyric-acid receptor subunit beta-1 Mass: 36838.938 Da / Num. of mol.: 10 / Mutation: P254G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Dickeya dadantii (strain 3937) (bacteria) Strain: 3937 / Gene: Dda3937_00520 / Production host: Escherichia coli (E. coli) / References: UniProt: E0SJQ4

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.97 Å³/Da / Density % sol: 68.99 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: PEG 4000 ammonium sulfate

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 0.92 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 5, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.92 Å / Relative weight: 1
Reflection	Resolution: 3.3→50 Å / Num. obs: 85863 / % possible obs: 99.8 % / Redundancy: 5.4 % / Net I/σ(I): 12.2
Reflection shell	Resolution: 3.3→3.4 Å / Redundancy: 5.4 % / Mean I/σ(I) obs: 2.5 / % possible all: 99.8

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Processing

Software

Name	Version	Classification
PHENIX	(1.10_2155: ???)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2yn6

2yn6

Resolution: 3.3→29.895 Å / SU ML: 0.44 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.26 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2518	4327	5.05 %
R_work	0.2205	-	-
obs	0.2221	85727	99.9 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.3→29.895 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	25020	0	0	0	25020

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	25690
X-RAY DIFFRACTION	f_angle_d	0.632	35000
X-RAY DIFFRACTION	f_dihedral_angle_d	12.896	15000
X-RAY DIFFRACTION	f_chiral_restr	0.045	3890
X-RAY DIFFRACTION	f_plane_restr	0.004	4460

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 (%)
3.3-3.3375	0.3592	190	0.3462	2643	X-RAY DIFFRACTION	100
3.3375-3.3767	0.3544	99	0.3312	2770	X-RAY DIFFRACTION	100
3.3767-3.4178	0.3472	187	0.3001	2627	X-RAY DIFFRACTION	100
3.4178-3.461	0.3432	102	0.2952	2825	X-RAY DIFFRACTION	100
3.461-3.5065	0.3126	182	0.2846	2606	X-RAY DIFFRACTION	100
3.5065-3.5544	0.3202	107	0.2799	2732	X-RAY DIFFRACTION	100
3.5544-3.6051	0.3411	182	0.2837	2694	X-RAY DIFFRACTION	100
3.6051-3.6588	0.2859	107	0.2906	2752	X-RAY DIFFRACTION	100
3.6588-3.7159	0.3133	172	0.2682	2669	X-RAY DIFFRACTION	100
3.7159-3.7767	0.2824	117	0.2628	2752	X-RAY DIFFRACTION	100
3.7767-3.8417	0.2725	161	0.2438	2675	X-RAY DIFFRACTION	100
3.8417-3.9114	0.2912	128	0.2473	2742	X-RAY DIFFRACTION	100
3.9114-3.9865	0.2799	160	0.2408	2675	X-RAY DIFFRACTION	100
3.9865-4.0677	0.2676	129	0.2338	2729	X-RAY DIFFRACTION	100
4.0677-4.1559	0.2668	153	0.2317	2717	X-RAY DIFFRACTION	100
4.1559-4.2523	0.2832	136	0.2182	2710	X-RAY DIFFRACTION	100
4.2523-4.3583	0.2627	131	0.2111	2726	X-RAY DIFFRACTION	100
4.3583-4.4758	0.2534	158	0.201	2686	X-RAY DIFFRACTION	100
4.4758-4.607	0.2322	136	0.1919	2747	X-RAY DIFFRACTION	100
4.607-4.7552	0.2256	153	0.1912	2684	X-RAY DIFFRACTION	100
4.7552-4.9244	0.2546	107	0.1923	2743	X-RAY DIFFRACTION	100
4.9244-5.1206	0.2304	182	0.1957	2656	X-RAY DIFFRACTION	100
5.1206-5.3524	0.249	72	0.1924	2797	X-RAY DIFFRACTION	100
5.3524-5.6329	0.2476	216	0.1962	2655	X-RAY DIFFRACTION	100
5.6329-5.9831	0.2181	66	0.1987	2803	X-RAY DIFFRACTION	100
5.9831-6.4408	0.2626	222	0.222	2641	X-RAY DIFFRACTION	100
6.4408-7.0812	0.2482	59	0.2295	2820	X-RAY DIFFRACTION	100
7.0812-8.0881	0.2698	230	0.2131	2649	X-RAY DIFFRACTION	100
8.0881-10.124	0.1501	63	0.1591	2815	X-RAY DIFFRACTION	100
10.124-29.8966	0.1793	220	0.2146	2660	X-RAY DIFFRACTION	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	0.8075	0.1734	0.9394	0.8531	-0.1259	0.5013	0.9308	-0.2058	-0.4217	0.8715	0.1935	0.3455	1.2199	-0.7559	0.4423	0.4344	-0.2117	-0.3988	0.7615	-0.1304	0.2067	-119.2669	-61.8002	-64.4752
2	0.2779	-0.0256	-0.1195	1.0455	-0.8619	0.6821	0.2107	-0.0773	-0.2141	-0.2063	0.1347	0.2869	0.0599	-0.1979	0.1443	0.5063	-0.0811	-0.2299	0.59	-0.0127	0.4547	-119.963	-57.8158	-64.6048
3	0.0324	-0.0338	0.0113	0.0236	-0.0036	-0.0033	-0.4396	0.1526	0.2649	-0.4759	-0.1963	-0.3958	0.5535	-0.1113	0.0006	1.8469	-0.4245	-0.192	1.1656	-0.0728	1.2265	-119.6209	-67.3118	-42.0253
4	0.8467	0.4948	-0.6334	2.146	0.6204	0.5894	-0.9702	-0.4267	-0.2528	1.1968	-1.1418	2.4031	1.1755	-0.8507	-2.8915	-0.6446	-0.1735	-1.0385	0.609	-0.1463	-0.3179	-129.0199	-53.2928	-54.3706
5	1.4431	0.063	0.7303	1.2004	-0.1748	0.5646	0.0976	-0.1783	-1.2078	0.3589	0.4244	0.4423	-0.1768	-0.2536	0.8695	0.7278	0.0652	0.2733	0.5185	-0.0218	-0.353	-120.3767	-38.6591	-16.819
6	-0.0876	0.028	0.0265	-0.0196	0.0852	-0.0241	-0.6522	-0.6446	-0.886	0.1428	0.2638	0.2671	0.1828	-0.7681	0.015	1.9002	-0.0046	0.3253	1.2901	0.081	0.9183	-132.0864	-38.5461	-7.3676
7	1.6962	-1.0659	-1.3151	1.2261	0.4337	0.8909	-0.1553	-1.1075	0.0114	-0.1193	0.7818	0.0319	0.2577	0.854	0.5374	1.0477	-0.1244	0.1042	-0.2003	-0.0495	0.4662	-94.1553	-68.1879	-60.6884
8	1.7121	0.4528	-0.3374	1.9617	0.1406	0.34	0.0841	0.0472	0.0234	-0.2635	0.1102	-0.2282	-0.1923	0.069	-0.0002	0.5826	0.0587	-0.0424	0.3116	-0.0183	0.4144	-98.1634	-67.4602	-60.3655
9	0.0773	0.0436	-0.0384	0.0387	0.0537	0.0485	-0.121	0.2845	0.2642	-0.2735	-0.8164	-0.1838	-0.0123	-0.2104	-0.0014	1.1053	0.1348	0.013	0.8505	-0.2633	1.2121	-85.77	-65.197	-39.4378
10	-0.0541	-0.8212	0.1786	0.6925	0.5184	-0.0097	-0.1573	-0.277	-0.4747	0.5287	-0.0417	0.2514	0.4746	-0.2462	-0.1639	0.6995	-0.0219	-0.1633	0.6174	0.0085	0.6151	-103.7052	-71.5836	-47.8357
11	1.4109	-0.8892	-0.1427	0.8071	-0.2669	0.2895	-0.2924	-0.1378	-0.2833	0.2901	-0.1377	-0.0299	0.2471	0.2826	-0.0002	0.8735	-0.0306	0.096	0.5381	0.0139	0.3716	-108.9754	-50.1443	-13.1338
12	2.4547	0.0664	-0.3322	-0.0075	-0.0264	0.02	0.349	-2.226	-0.0518	0.3034	-0.0991	-0.1703	0.2158	-0.1541	-0.0755	2.132	0.2035	0.052	1.0178	-0.1982	1.0879	-111.4039	-58.4902	-0.8318
13	1.4911	-0.3193	-0.2863	0.1084	-0.5119	0.4351	0.1609	-0.21	0.1229	-0.1373	-0.2223	-0.5169	-0.4881	0.4015	-0.1963	0.5105	0.1831	0.2178	0.4222	-0.0182	0.4346	-79.6945	-46.7594	-64.2064
14	0.0398	0.1115	0.1739	1.3541	-0.6983	0.8894	0.0104	-0.0497	-0.2761	-0.3092	0.0802	-0.3532	0.2393	-0.3838	0.1113	0.5619	0.0565	0.118	0.4085	-0.029	0.4787	-81.5951	-50.061	-62.794
15	-0.0037	0.0064	-0.0398	0.0703	-0.048	-0.0094	0.1062	0.9941	0.1562	0.5428	0.0596	0.9072	-0.177	0.9235	-0.0024	1.3582	-0.1831	0.5775	0.9796	-0.0558	1.5076	-76.6518	-33.0864	-45.9546
16	1.7409	-0.7671	-1.4963	0.9553	0.0275	1.41	-0.1548	-1.3681	-0.561	0.7645	0.161	-0.7793	0.7938	1.6706	-0.1833	0.4886	0.2878	0.027	0.2068	0.0695	0.8559	-77.4818	-53.6647	-49.4871
17	0.2813	0.6267	-0.343	0.8059	-0.3641	0.2541	0.1071	-0.0741	-0.0259	0.4844	-0.0546	-0.1023	0.1851	0.2576	0.0001	0.7566	0.0242	-0.1239	0.9041	0.0158	0.3748	-94.1215	-43.0095	-13.3572
18	0.2098	-0.1498	0.1727	0.3054	-0.0812	0.1002	-0.3178	-0.3352	-0.7472	0.1717	0.2687	0.3538	-0.0233	0.5476	0.0001	1.2702	0.1172	-0.1394	1.8934	-0.0848	1.1314	-85.1722	-45.2628	-1.4824
19	-0.0505	-0.1433	-0.1382	0.5673	-0.2966	0.0324	-0.0319	0.1109	-0.0046	0.2466	-0.0579	-0.3513	-0.4385	-0.3534	-0.0592	0.4923	-0.0478	0.1149	0.4464	0.0345	0.3165	-95.8529	-27.0496	-70.0513
20	1.3226	-0.064	0.4506	1.2781	-0.9388	1.1774	0.2535	0.0392	0.0214	-0.2617	-0.0025	-0.349	0.325	-0.0486	0.1478	0.5923	0.0978	0.1621	0.3378	-0.0073	0.2222	-93.1315	-29.5769	-68.4369
21	0.1334	0.0441	0.1971	0.0366	0.1024	0.2944	-0.4511	-1.0473	-0.3225	-0.4713	0.3352	0.4259	0.3756	-0.3266	-0.0351	0.8157	0.2344	0.1665	1.6835	0.4052	0.8285	-104.8572	-15.2979	-52.4336
22	0.0575	0.0812	0.1646	0.1066	-0.1503	0.497	0.4179	-0.1575	0.6612	0.1615	0.2085	-0.3155	-0.7783	0.2228	0.018	0.661	0.0021	0.2063	0.4198	-0.007	0.6548	-86.4183	-23.9821	-57.0076
23	0.386	-0.1922	0.2276	0.385	-0.5532	0.5024	-0.0642	-0.3216	0.1064	0.365	-0.1426	-0.0956	0.2643	0.2289	-0.0123	0.9792	-0.1042	0.105	0.6225	-0.1017	0.3366	-96.2291	-27.0041	-17.1532
24	0.3791	0.387	0.1727	0.1917	0.076	0.0754	-0.2926	-0.9344	0.2895	0.3118	0.0649	0.1584	-0.5467	0.1819	-0.0007	1.4384	-0.2415	-0.0358	1.4934	-0.1671	1.1033	-89.5115	-16.7993	-8.2951
25	0.9258	-0.2918	1.0372	0.728	0.1751	0.7111	-0.3384	-0.8579	1.1772	-0.1018	-0.4576	1.2132	-0.1652	-1.3249	-1.1665	0.913	0.2014	-0.3284	0.4502	0.4184	-0.1669	-120.2856	-36.3526	-70.289
26	1.3922	0.2312	0.2412	1.354	-0.7921	0.4148	-0.0507	0.0158	-0.149	-0.1576	0.3432	0.203	0.1399	-0.0559	0.0103	0.5645	0.0832	-0.0228	0.5768	0.1027	0.3332	-116.8485	-34.3638	-69.5769
27	0.5463	-0.6623	-0.1999	0.9126	0.2909	0.0987	0.5311	0.1684	-0.5277	-0.8893	-0.5348	0.1209	-0.2144	0.3093	-0.3681	1.3199	-0.2757	-0.1401	1.3824	0.8929	1.0007	-131.4886	-36.4404	-50.1456
28	0.5464	-0.2261	1.2545	0.2558	0.0239	3.1056	-0.25	0.2649	0.3163	0.2313	-0.0631	-0.0061	-1.0368	-1.0439	-0.6071	0.714	0.1768	0.0962	0.6122	0.2123	0.6347	-118.297	-23.7373	-60.0478
29	1.2751	0.5274	0.9255	0.6565	-0.1927	0.6484	0.1543	-0.1212	-0.1188	0.269	0.0647	0.182	-0.7439	-0.0336	0.001	0.8562	0.0829	0.1344	0.5347	0.0068	0.3589	-112.493	-24.338	-19.3162
30	0.1251	0.1387	-0.0628	0.1038	-0.1532	0.0837	-0.4206	-0.1355	-0.0769	1.2793	-0.5513	0.8035	-0.2767	-0.1825	-0.0006	1.5509	0.0367	0.1625	1.27	-0.035	0.8581	-118.6393	-12.6938	-11.9174
31	0.1275	0.2501	-0.4464	1.672	-0.5981	0.8856	-0.2931	0.1752	-0.8029	1.1716	0.2429	-0.2802	0.3209	-0.0575	-0.1716	0.4354	-0.0518	0.2333	0.7509	0.0336	0.3576	-99.9407	-129.7438	-20.4677
32	0.5517	-0.6376	-0.1395	0.719	0.455	1.0872	-0.3252	-0.2722	0.0305	0.2287	0.2252	0.1339	-0.1426	-0.0348	-0.0285	0.5459	0.0641	0.1937	0.5388	0.1047	0.5932	-100.0174	-125.7787	-19.5259
33	0.0589	-0.0059	0.0026	0.0107	0.0068	0.0084	0.3131	-0.4052	0.0643	-0.8914	0.6637	0.3901	-0.0176	0.1174	0.0025	1.8453	-0.174	0.5999	1.1325	0.0823	1.2647	-77.5542	-135.2996	-21.2239
34	0.5725	0.4747	0.408	1.2291	-0.7764	1.0417	-0.0922	-0.4368	-0.3999	1.1107	-0.0763	-0.51	-0.2178	-0.1568	0.1828	0.7565	0.103	0.0762	0.8907	-0.0029	0.3659	-89.449	-121.7215	-10.6492
35	0.2882	-0.0684	-0.3016	1.0586	0.1322	0.3452	0.1452	-0.4244	0.1392	0.2113	-0.0647	-0.277	0.0702	-0.0262	-0.0008	0.35	-0.096	-0.1985	0.6918	-0.0083	0.8634	-52.2342	-106.6926	-19.7992
36	0.221	-0.5101	-0.229	1.891	0.1004	0.2904	0.7071	-0.1609	0.8655	0.0725	-0.6929	-1.2656	-0.0593	0.8341	-0.0767	0.8841	0.0745	-0.2363	1.2244	-0.1232	1.0296	-42.378	-107.202	-8.4414
37	1.2507	0.7261	1.5466	1.1461	0.4991	1.6489	-0.029	0.8315	-0.1854	-0.0386	0.4528	-0.0375	0.2643	0.6057	0.6203	0.4727	-0.0475	0.0085	0.1464	0.0783	0.8165	-97.1025	-134.8146	-46.0055
38	0.3994	-0.5542	0.2493	1.3388	-0.4584	1.6215	-0.1517	-0.1951	0.2116	-0.1029	0.0251	0.1159	0.108	-0.0144	0.0001	0.4637	-0.0508	0.0423	0.4219	-0.049	0.4966	-96.6498	-134.3196	-41.979
39	0.0365	0.0311	0.0324	0.0131	-0.0325	0.0425	-0.1623	0.2513	0.0928	-0.4744	-0.9447	0.0035	-1.0475	-0.1177	-0.001	1.4368	-0.3917	0.0806	0.879	0.0536	1.1107	-76.1699	-131.4149	-55.0112
40	0.7629	-0.0543	0.426	0.3513	0.212	0.1161	-0.2847	-0.2195	-0.4902	-0.127	0.1518	-0.4207	0.2698	0.2424	0.0095	0.642	-0.0137	0.2509	0.542	0.026	0.7415	-83.8966	-138.7337	-37.0481
41	0.4101	-0.326	0.2488	0.7306	0.7183	1.1002	0.2003	0.0931	-0.2979	-0.1791	-0.1555	-0.2369	0.1039	0.0904	-0.0002	0.445	0.0574	-0.0669	0.6857	0.1385	0.8805	-49.0495	-117.4985	-31.9482
42	0.0727	0.0697	-0.1753	0.0968	-0.1126	0.3702	0.22	-0.1864	-0.7139	-0.0436	-0.7292	0.2688	0.4583	0.6655	-0.0004	1.1347	-0.1702	0.0684	1.4569	-0.2332	2.2889	-36.714	-125.9899	-30.4845
43	0.6117	0.0844	0.173	0.3057	0.6687	0.9154	-0.1583	0.631	1.0192	-0.3607	-0.0461	0.1104	-0.1667	0.2962	-0.0078	0.4474	-0.0454	-0.1729	0.5373	-0.02	0.4802	-101.1738	-112.724	-59.1131
44	0.5396	-0.7847	-0.0112	1.6101	-0.1177	1.1167	-0.0739	-0.1415	0.012	-0.3454	0.0567	0.1234	0.1974	0.0698	-0.0008	0.5925	-0.0768	-0.0338	0.4381	-0.0175	0.5965	-99.659	-116.1213	-57.4442
45	0.0144	-0.0572	0.0424	0.0515	-0.0007	-0.008	-0.5989	0.3821	0.1744	0.7476	-0.4393	-0.2836	0.1439	-0.7657	-0.0018	1.3255	-0.2595	-0.2079	0.9889	0.0381	1.4858	-83.0656	-98.8907	-62.0327
46	1.7419	-0.2025	1.0212	0.0862	0.0863	0.6519	-0.1379	0.9031	-0.3297	-0.3399	0.1459	-0.342	0.2632	0.3485	0.0451	0.7818	-0.0502	0.0886	0.5236	-0.0528	0.6705	-86.5565	-119.4409	-62.2304
47	0.4346	-0.2532	0.5343	0.2394	0.0218	0.7746	0.0747	0.0466	-0.5581	-0.0472	-0.0733	-0.5463	-0.21	0.2497	-0	0.4874	0.0145	-0.0422	0.6869	0.0833	0.8935	-49.8199	-109.5431	-46.4258
48	0.1588	-0.2027	-0.2386	0.195	0.2709	0.2651	-0.209	0.0764	0.3592	-1.6261	-0.0838	-1.1133	1.2123	1.5393	-0.0017	1.5468	-0.3177	-0.0606	1.712	0.3884	1.4684	-38.2756	-111.2903	-55.9597
49	0.7065	-0.0476	0.4334	0.4593	-0.4871	0.1192	-0.1825	-0.2422	0.4987	-0.1964	0.1579	-0.3145	0.1434	-0.0073	0.1221	0.3442	0.0833	-0.0104	0.4834	0.1096	0.7285	-106.4691	-93.9206	-41.7278
50	0.893	-0.8641	-0.0229	0.8587	0.0319	0.6214	-0.1069	-0.33	-0.2534	0.1769	0.0457	0.0661	0.0569	0.0792	-0.0134	0.3801	0.0282	-0.0636	0.3194	-0.0106	0.6288	-104.921	-96.3044	-44.6339
51	0.6161	0.179	-0.0549	2.044	-0.7018	0.2247	-0.2486	-0.8237	0.0781	0.3745	0.6643	0.9482	0.2947	0.1125	0.3205	1.1606	0.9576	-0.287	1.9662	-0.6269	0.7305	-88.5188	-82.5565	-32.8069
52	0.217	-0.2491	0.0637	0.218	-0.1504	0.2512	-0.3961	0.4694	0.3449	-0.3336	0.299	-0.4083	-0.3387	0.353	0.0284	0.6419	0.0113	-0.2595	0.4575	-0.059	0.638	-93.7545	-90.3451	-51.4416
53	0.5741	-0.5688	0.0582	0.5173	-0.2258	0.6331	0.0031	0.003	-0.1599	0.2529	-0.1455	-0.4245	-0.2024	0.2506	-0.0028	0.3527	-0.0823	-0.1515	0.7287	0.2299	1.2943	-53.5461	-93.7301	-43.3562
54	0.071	0.0609	-0.0421	0.1633	-0.0424	0.3362	-0.4128	0.5702	-0.3941	-0.0223	-0.0503	-1.1415	-0.2681	0.5661	0.0007	1.1866	-0.1455	-0.2505	1.1154	0.2555	1.8582	-44.9405	-83.215	-49.8592
55	0.4216	0.2002	-0.2732	1.0265	-0.5343	1.3479	-0.5839	-1.0118	0.074	2.0203	0.1715	-0.0036	-0.6904	0.5891	-0.3531	-0.4133	0.2434	0.1023	0.4685	-0.2211	0.6503	-105.6839	-104.3508	-17.7533
56	0.1127	0.0886	-0.1158	1.2716	-1.032	1.082	-0.1701	-0.3104	0.0488	0.328	0.1882	0.0065	0.0061	-0.1072	0.0003	0.4408	0.0964	0.1467	0.5567	-0.1024	0.574	-105.1275	-102.2515	-21.1703
57	0.0181	-0.0337	0.0016	0.0673	-0.0705	0.0498	-0.1294	0.3328	0.1629	0.315	-1.0155	0.1866	0.3617	0.0613	0.0013	1.2277	0.2006	0.3564	1.4345	0.0728	1.3617	-85.1587	-105.0321	-7.3022
58	1.6077	0.4787	-1.1448	0.5886	-0.3776	0.6624	0.1601	-0.636	1.2189	0.3418	-0.0094	-0.3799	-0.9373	-0.0463	0.0099	0.9338	0.2916	-0.0655	0.7679	-0.249	0.6714	-95.5317	-91.6868	-19.6198
59	0.4307	0.5857	-0.3126	0.5917	-0.2816	1.2655	0.0986	-0.1005	0.4109	0.6176	-0.0743	-0.0582	0.2345	0.1419	-0.0128	0.4251	-0.0325	-0.207	0.5957	-0.1437	0.9748	-55.0419	-91.9897	-26.8985
60	-0.0077	0.0205	-0.0402	0.0196	-0.0982	0.0119	0.5222	-0.3139	-0.627	0.8662	0.458	-1.0328	-1.3471	-1.0611	0.0003	1.1678	0.1755	-0.355	1.8174	0.0968	2.1427	-47.4404	-80.6549	-20.5492

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 11 through 55 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 56 through 146 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 147 through 159 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 160 through 208 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 209 through 285 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 286 through 317 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 11 through 55 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 56 through 146 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 147 through 159 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 160 through 208 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 209 through 285 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 286 through 317 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 11 through 55 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 56 through 146 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 147 through 159 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 160 through 208 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 209 through 285 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 286 through 317 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 11 through 55 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 56 through 146 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 147 through 159 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 160 through 208 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 209 through 285 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 286 through 317 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 11 through 55 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 56 through 146 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 147 through 159 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 160 through 208 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 209 through 285 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 286 through 317 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 11 through 55 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 56 through 146 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 147 through 159 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 160 through 208 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 209 through 285 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 286 through 317 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 11 through 55 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 56 through 146 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 147 through 159 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 160 through 208 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 209 through 285 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 286 through 317 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 11 through 55 )
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 56 through 146 )
45	X-RAY DIFFRACTION	45	chain 'H' and (resid 147 through 159 )
46	X-RAY DIFFRACTION	46	chain 'H' and (resid 160 through 208 )
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 209 through 285 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 286 through 317 )
49	X-RAY DIFFRACTION	49	chain 'I' and (resid 11 through 55 )
50	X-RAY DIFFRACTION	50	chain 'I' and (resid 56 through 146 )
51	X-RAY DIFFRACTION	51	chain 'I' and (resid 147 through 159 )
52	X-RAY DIFFRACTION	52	chain 'I' and (resid 160 through 208 )
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 209 through 285 )
54	X-RAY DIFFRACTION	54	chain 'I' and (resid 286 through 317 )
55	X-RAY DIFFRACTION	55	chain 'J' and (resid 11 through 55 )
56	X-RAY DIFFRACTION	56	chain 'J' and (resid 56 through 146 )
57	X-RAY DIFFRACTION	57	chain 'J' and (resid 147 through 159 )
58	X-RAY DIFFRACTION	58	chain 'J' and (resid 160 through 208 )
59	X-RAY DIFFRACTION	59	chain 'J' and (resid 209 through 285 )
60	X-RAY DIFFRACTION	60	chain 'J' and (resid 286 through 317 )

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