PDB-4zfj: Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form

ID or keywords:

Entry

Database: PDB / ID: 4zfj

Title

Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form

Components

Amidohydrolase EgtC

Keywords

HYDROLASE / Ntn hydrolase / ergothioneine biosynthesis / sulfur chemistry /

Mycobacteria

Function / homology

Function and homology information

gamma-glutamyl hercynylcysteine S-oxide hydrolase / ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides / glutamine metabolic process
Similarity search - Function

Biological species

Mycobacterium smegmatis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.75 Å

Authors

Vit, A. / Seebeck, F.P. / Blankenfeldt, W.

Funding support

Switzerland, 1items

Citation

Journal: Chembiochem / Year: 2015
Title: Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Authors: Vit, A. / Mashabela, G.T. / Blankenfeldt, W. / Seebeck, F.P.

History

Deposition	Apr 21, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Jul 1, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jul 15, 2015	Group: Database references
Revision 1.2	Sep 6, 2017	Group: Author supporting evidence / Data collection / Category: diffrn_radiation_wavelength / pdbx_audit_support Item: _diffrn_radiation_wavelength.wavelength / _pdbx_audit_support.funding_organization
Revision 1.3	Oct 18, 2017	Group: Data collection / Category: diffrn_radiation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4zfj.cif.gz	1.5 MB	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/zf/4zfj ftp://data.pdbj.org/pub/pdb/validation_reports/zf/4zfj	HTTPS FTP

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Related structure data

Related structure data	4zfkC 4zflC C: citing same article (ref.)
Similar structure data	4zfl-2 4zfl-3 4zfl-1 2gkw-1 4zfk-d 1jyc-2 3dli-d 2xu2-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

4zfkC

4zflC

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	#166 - Oct 2013 Proteasome similarity (1) #80 - Aug 2006 AAA+ Proteases similarity (1) #176 - Aug 2014 Dynein similarity (1) #60 - Dec 2004 Ubiquitin similarity (1)

Deposited unit

A: Amidohydrolase EgtC

B: Amidohydrolase EgtC

C: Amidohydrolase EgtC

D: Amidohydrolase EgtC

E: Amidohydrolase EgtC

F: Amidohydrolase EgtC

G: Amidohydrolase EgtC

H: Amidohydrolase EgtC

I: Amidohydrolase EgtC

J: Amidohydrolase EgtC

K: Amidohydrolase EgtC

L: Amidohydrolase EgtC

hetero molecules

310 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Amidohydrolase EgtC

B: Amidohydrolase EgtC

C: Amidohydrolase EgtC

D: Amidohydrolase EgtC

hetero molecules

defined by author&software
104 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Amidohydrolase EgtC

H: Amidohydrolase EgtC

J: Amidohydrolase EgtC

K: Amidohydrolase EgtC

hetero molecules

defined by author&software
104 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

F: Amidohydrolase EgtC

G: Amidohydrolase EgtC

I: Amidohydrolase EgtC

L: Amidohydrolase EgtC

hetero molecules

defined by author&software
103 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	128.977, 69.507, 160.375
Angle α, β, γ (deg.)	90.00, 94.84, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Amidohydrolase EgtC Mass: 25258.975 Da / Num. of mol.: 12 / Mutation: E53D, L84V, P95S, D118A, V137L, H188R Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) (bacteria) Gene: egtC, MSMEG_6248, MSMEI_6087 / Plasmid: pET28a / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: A0R5M9, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides
#2: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / MES (buffer) Mass: 195.237 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#3: Chemical	ChemComp-XPE / 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL / DECAETHYLENE GLYCOL / Polyethylene glycol Mass: 458.541 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₂₀H₄₂O₁₁ / Comment: precipitant*YM
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 2481 / 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: 2.37 Å³/Da / Density % sol: 48.05 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.1 M MES pH 6.4, 10-12% PEG 20000

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Data collection

Diffraction

ID	Mean temperature (K)	Crystal-ID
1	100	1
2	100	1

Diffraction source

Source	Site	Beamline	ID	Wavelength (Å)
SYNCHROTRON	SLS	X10SA	1	0.9786
SYNCHROTRON	SLS	X10SA	2	0.9792

Detector

Type	ID	Detector	Date
DECTRIS PILATUS 6M	1	PIXEL	Oct 6, 2010
DECTRIS PILATUS 6M	2	PIXEL	Aug 22, 2010

Radiation

ID	Monochromator	Protocol	Monochromatic (M) / Laue (L)	Scattering type	Wavelength-ID
2	double crystal Si(111)	SINGLE WAVELENGTH	M	x-ray	2
1	double crystal Si(111)	SINGLE WAVELENGTH	M	x-ray	1

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.9786	1
2	0.9792	1

Reflection

Redundancy: 13.7 % / Number: 3248829 / R_merge(I) obs: 0.138 / D res high: 1.85 Å / D res low: 47.83 Å / Num. obs: 236707 / % possible obs: 98.3

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	ID	R_merge(I) obs	Redundancy
1.85	1.88	1	1.077	14
10.13	47.83	1	0.058	13.4

Reflection

Resolution: 1.75→47.64 Å / Num. obs: 283662 / % possible obs: 99.6 % / Redundancy: 3.4 % / B_iso Wilson estimate: 18.59 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.074 / R_pim(I) all: 0.047 / Net I/σ(I): 10.3 / Num. measured all: 958644

Reflection shell

Diffraction-ID: 1 / Redundancy: 3.4 % / Rejects: 0

Resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured all	Num. unique all	CC_1/2	R_pim(I) all	% possible all
1.75-1.78	0.654	1.9	47488	14038	0.697	0.415	99.8
9.59-47.64	0.028	24.9	6229	1851	0.999	0.017	98.7

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
Aimless	0.5.2	data scaling
PDB_EXTRACT	3.15	data extraction
XDS		data reduction
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.75→47.641 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 17.35 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1801	13870	4.89 %
R_work	0.1494	-	-
obs	0.1509	283575	99.42 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.75→47.641 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	20316	0	419	2481	23216

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	21375
X-RAY DIFFRACTION	f_angle_d	1.176	29171
X-RAY DIFFRACTION	f_dihedral_angle_d	13.604	7656
X-RAY DIFFRACTION	f_chiral_restr	0.04	3269
X-RAY DIFFRACTION	f_plane_restr	0.005	3800

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 (%)
1.75-1.7699	0.2577	486	0.2286	8996	X-RAY DIFFRACTION	100
1.7699-1.7907	0.2454	477	0.2192	8942	X-RAY DIFFRACTION	100
1.7907-1.8126	0.257	413	0.2108	9009	X-RAY DIFFRACTION	100
1.8126-1.8355	0.2323	428	0.2081	8999	X-RAY DIFFRACTION	100
1.8355-1.8597	0.2589	471	0.2041	8940	X-RAY DIFFRACTION	100
1.8597-1.8851	0.2316	467	0.1972	8982	X-RAY DIFFRACTION	100
1.8851-1.9121	0.2248	447	0.1902	8944	X-RAY DIFFRACTION	100
1.9121-1.9406	0.2148	442	0.1742	9013	X-RAY DIFFRACTION	100
1.9406-1.9709	0.2081	468	0.1688	8965	X-RAY DIFFRACTION	100
1.9709-2.0032	0.2039	471	0.1641	8995	X-RAY DIFFRACTION	100
2.0032-2.0378	0.1972	423	0.1635	9041	X-RAY DIFFRACTION	100
2.0378-2.0748	0.2036	465	0.1579	8936	X-RAY DIFFRACTION	100
2.0748-2.1147	0.1974	480	0.1513	9030	X-RAY DIFFRACTION	100
2.1147-2.1579	0.1801	503	0.1432	8946	X-RAY DIFFRACTION	100
2.1579-2.2048	0.1783	463	0.146	8927	X-RAY DIFFRACTION	100
2.2048-2.2561	0.1818	495	0.1424	9001	X-RAY DIFFRACTION	100
2.2561-2.3125	0.1777	439	0.1427	8971	X-RAY DIFFRACTION	100
2.3125-2.3751	0.1838	491	0.1445	8944	X-RAY DIFFRACTION	99
2.3751-2.445	0.1931	451	0.141	8944	X-RAY DIFFRACTION	100
2.445-2.5239	0.1858	440	0.1468	9098	X-RAY DIFFRACTION	100
2.5239-2.6141	0.1834	448	0.1431	8988	X-RAY DIFFRACTION	100
2.6141-2.7187	0.1777	455	0.1396	9025	X-RAY DIFFRACTION	100
2.7187-2.8424	0.1826	461	0.1423	8962	X-RAY DIFFRACTION	99
2.8424-2.9923	0.1765	479	0.1525	9025	X-RAY DIFFRACTION	99
2.9923-3.1797	0.1792	467	0.1527	8996	X-RAY DIFFRACTION	99
3.1797-3.4252	0.1742	474	0.143	8889	X-RAY DIFFRACTION	98
3.4252-3.7697	0.1528	472	0.1345	8921	X-RAY DIFFRACTION	98
3.7697-4.3149	0.1385	475	0.1211	9049	X-RAY DIFFRACTION	99
4.3149-5.4351	0.1357	447	0.118	9042	X-RAY DIFFRACTION	98
5.4351-47.6585	0.1857	472	0.1628	9185	X-RAY DIFFRACTION	98

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	1.2094	0.0254	0.2717	1.1733	0.1803	1.6212	0.0055	-0.018	-0.0016	0.0008	0.0004	-0.0561	0.0891	0.0296	-0.0111	0.1065	-0.0054	-0.0072	0.0632	-0.0049	0.1138	60.6117	10.6048	121.8137
2	0.9619	-0.3371	0.2673	2.0462	-0.1043	2.5531	0.0298	0.0541	0.1546	-0.1092	-0.0326	-0.1475	-0.2796	0.1367	-0.0112	0.136	-0.0222	0.0034	0.0822	0.017	0.1388	59.3846	23.4835	108.369
3	1.7252	-0.4813	-0.3409	2.4353	-0.7717	2.0705	-0.0074	0.147	-0.068	-0.2067	-0.0104	-0.0145	0.2628	0.0127	-0.0006	0.1521	-0.0075	-0.0146	0.0806	-0.0338	0.1079	58.9341	5.1316	106.2273
4	1.6201	-0.1508	-0.1887	1.6443	-0.3625	1.7292	-0.0385	-0.0646	0.0689	0.1349	0.0054	0.0052	-0.0431	0.0028	0.0292	0.1161	-0.0097	-0.0004	0.0641	-0.0075	0.1137	65.95	43.9829	135.6581
5	1.1897	-0.4537	0.7237	1.835	0.0752	2.2503	0.0343	0.0312	-0.082	-0.0422	-0.0802	0.1427	0.1056	-0.0874	0.0394	0.1091	-0.0209	0.0013	0.0791	-0.0082	0.1341	56.6535	45.0784	119.4947
6	1.3082	-0.4354	0.2265	1.7457	-0.1067	1.9296	-0.1002	-0.0336	0.1945	0.1393	0.0253	-0.0161	-0.3211	-0.0067	0.0453	0.1808	-0.0224	-0.024	0.0613	-0.0118	0.1606	60.6729	59.0107	131.3247
7	1.577	-0.272	0.4184	1.2562	0.0736	1.7835	-0.0363	0.072	0.0192	-0.0175	-0.0217	-0.0789	-0.0581	0.1116	0.0443	0.0752	-0.0213	-0.0083	0.1065	0.0076	0.1052	83.4556	27.4291	131.7645
8	2.8334	-0.7251	0.3776	1.642	-0.5998	2.7901	-0.0333	-0.085	-0.2346	0.0176	0.046	0.0724	0.3768	-0.121	-0.0178	0.1359	-0.0247	0.0101	0.1146	0.0099	0.1222	83.0653	16.4586	146.8104
9	1.936	-0.0578	-0.0707	1.5017	-0.0968	2.9132	-0.0542	0.1304	-0.0087	-0.019	-0.0455	-0.2215	0.0894	0.485	0.0825	0.0754	-0.0008	0.0022	0.2111	0.0134	0.1714	98.0777	22.7488	137.7117
10	2.0408	0.1544	0.1327	1.7674	0.031	2.0712	0.0941	-0.2102	0.0726	0.0713	-0.1068	0.0606	0.0959	-0.253	0.012	0.1003	-0.051	0.0153	0.1484	-0.0067	0.1091	48.6277	19.4903	140.8157
11	2.9499	-0.6709	1.0444	0.1717	-0.4577	3.3423	0.0585	-0.5146	0.1501	0.0554	-0.0785	-0.0728	0.0418	-0.0963	-0.0073	0.153	-0.0733	-0.0067	0.2469	-0.0259	0.147	59.8276	16.5816	155.227
12	2.1395	0.0062	-0.4266	1.2122	-0.0148	1.0118	0.078	-0.5248	0.0573	0.3324	-0.1096	0.2156	0.1762	-0.5957	-0.058	0.1883	-0.2054	0.0522	0.5132	-0.0383	0.1827	40.9234	15.0001	154.535
13	1.4626	-0.1195	0.7864	1.8635	0.0752	1.5889	0.0108	0.121	0.1449	-0.0375	-0.133	-0.1532	-0.0716	0.1454	-0.0832	0.0939	-0.008	0.0175	0.1836	0.0507	0.1473	28.7329	38.595	64.4858
14	2.2078	0.0087	0.7001	2.2255	-0.785	0.984	-0.0006	-0.1598	0.1238	0.0678	-0.0513	0.1294	-0.0735	-0.0136	-0.042	0.1068	0.0037	0.0221	0.1776	-0.0235	0.1593	10.1817	37.8912	62.8479
15	2.2741	0.0718	-0.3984	2.8917	0.3877	1.2417	0.0265	0.394	0.3831	-0.1703	-0.1476	-0.0389	-0.1318	0.1401	-0.0289	0.1903	-0.0008	0.0074	0.2432	0.1014	0.2092	22.0597	48.3194	52.7757
16	1.5988	0.1845	0.0767	1.362	-0.4938	1.7918	0.0489	-0.1811	0.2119	0.035	-0.0897	0.1279	0.0046	-0.2226	-0.047	0.0962	-0.0235	0.0137	0.1583	-0.0326	0.1536	113.7613	52.1592	140.6725
17	2.4492	-0.1883	0.8916	0.1914	0.0763	2.6577	0.1055	-0.389	0.1455	0.1174	-0.1217	-0.0034	0.1007	-0.1985	-0.0827	0.171	-0.0703	-0.0023	0.2102	-0.0302	0.1651	125.267	49.2453	155.0063
18	1.5701	0.4293	-0.0964	1.3855	0.7311	1.0023	0.3416	-0.6069	0.0887	0.3683	-0.2944	0.2713	0.3582	-0.3855	-0.1637	0.196	-0.1736	0.0694	0.4802	-0.0818	0.2133	107.0409	45.7259	154.6983
19	1.5446	-0.1164	0.2044	1.0063	0.0187	1.9506	-0.0418	0.1094	0.0891	-0.0211	-0.0562	-0.1042	-0.056	0.1422	0.0018	0.1071	-0.0278	-0.0232	0.1309	0.0221	0.1345	147.788	63.5145	132.001
20	2.4718	-0.7915	0.1022	1.7463	-0.9596	2.5039	-0.0721	-0.0559	-0.1229	0.0022	0.0567	0.022	0.263	-0.0047	0.0346	0.1598	-0.0213	-0.013	0.1423	-0.0025	0.1321	148.4907	52.2249	146.7148
21	1.8224	-0.3819	0.7688	2.4403	-0.715	3.3989	-0.1651	0.2561	0.1471	0.1074	-0.1955	-0.371	-0.1621	0.7698	0.1663	0.1258	-0.0404	-0.0063	0.3485	0.0813	0.2877	163.8269	60.6308	136.4652
22	2.2219	0.0934	0.0577	1.7106	-0.0872	1.1081	0.0915	-0.1095	-0.0194	0.0312	-0.1021	-0.0352	0.0522	-0.0728	0.0199	0.0842	-0.0217	0.0128	0.1537	-0.001	0.0949	14.7035	17.5239	91.0641
23	1.2875	0.3088	1.257	1.8585	-0.3736	2.167	0.0528	0.0355	-0.0135	-0.1837	-0.0579	0.0186	0.1156	-0.0325	0.012	0.1141	-0.0056	0.019	0.189	-0.0196	0.1212	2.5055	18.9268	77.0629
24	2.3265	0.0196	0.2121	2.0989	-0.5765	1.5409	0.0773	-0.2064	-0.2475	0.101	-0.0359	0.0628	0.2735	-0.2992	-0.0174	0.1811	-0.092	0.023	0.2401	0.0201	0.1595	1.3128	8.4746	92.8543
25	2.267	0.0565	0.633	1.2837	0.1585	2.2285	0.0576	0.056	-0.0369	-0.0542	-0.0082	-0.0011	0.1375	0.037	-0.0455	0.1254	0.0012	-0.0088	0.0736	-0.0147	0.0975	126.3713	45.3984	121.2757
26	1.1031	-0.3685	0.7883	2.3077	0.0391	3.7219	-0.0306	0.0886	0.1882	-0.0788	-0.0054	-0.1423	-0.3031	0.2001	0.0238	0.1338	-0.0133	-0.0072	0.1141	0.0066	0.1546	123.9288	58.7117	108.4911
27	2.3674	-1.2508	0.3861	2.3723	-0.2633	3.0141	0.1111	0.1997	-0.1484	-0.171	-0.046	-0.0042	0.4943	0.1706	-0.0451	0.2311	0.0136	-0.0235	0.1304	-0.0573	0.1502	125.2939	40.14	105.8242
28	1.7253	-0.5175	0.3767	1.3869	0.1051	0.8581	0.1177	0.2453	0.0321	-0.0865	-0.1276	-0.0342	0.0713	0.1462	-0.1295	0.1184	0.04	0.0318	0.2181	-0.0086	0.1188	35.5917	16.172	69.0636
29	0.9054	-0.1437	0.9686	2.1513	0.0635	1.3078	0.0595	0.0933	0.0568	0.0832	-0.066	-0.1366	0.0828	0.1207	-0.0476	0.1281	0.0024	0.0174	0.1968	0.0041	0.1383	49.2102	17.3321	82.5546
30	1.1223	-0.0859	-0.0192	2.0776	-0.1053	1.497	0.147	0.3281	-0.174	-0.1239	-0.1381	-0.1242	0.1667	0.2868	-0.1925	0.2024	0.1056	0.0317	0.3119	-0.0417	0.1857	48.2353	6.1542	68.0367
31	1.8711	-0.3617	0.7927	2.204	-0.0752	2.3267	-0.031	-0.1076	0.2256	0.0053	-0.073	0.0325	-0.0662	-0.0973	0.0707	0.0772	0.0017	-0.005	0.1377	-0.0447	0.1424	23.1712	39.7367	94.4143
32	3.4554	0.1879	0.6889	2.3885	1.0366	3.0757	-0.0135	0.074	0.2061	-0.0133	0.0121	-0.1593	-0.0621	0.1237	0.0044	0.0866	-0.0026	-0.0137	0.1131	0.0052	0.1486	42.0368	38.0936	97.5312
33	2.2762	-0.7562	0.3075	2.1118	0.2901	1.4817	-0.1094	-0.3964	0.5475	0.22	-0.0256	-0.0472	-0.1584	-0.1427	0.1001	0.1966	0.0112	-0.0215	0.229	-0.1234	0.2764	30.2007	49.5459	105.786
34	1.195	-0.3821	0.2194	2.2558	-0.2493	2.4762	-0.1046	-0.0623	0.117	0.225	-0.0487	0.0184	-0.2006	-0.0432	0.1275	0.1872	0.0075	-0.0327	0.0845	-0.0307	0.164	128.8481	78.2758	136.9351
35	2.1228	-0.3061	1.3852	2.5402	0.8048	3.7196	-0.1355	-0.1071	0.1972	-0.1671	-0.1408	0.3051	-0.2581	-0.3592	0.2137	0.1929	0.0219	-0.0464	0.148	-0.0415	0.2033	119.1704	79.4603	121.0447
36	1.3683	-0.6247	-0.1798	1.7955	0.5394	2.0199	-0.2125	-0.0114	0.1483	0.1194	-0.177	0.2086	-0.6779	-0.3369	0.1989	0.3997	0.0841	-0.0972	0.166	-0.0919	0.3163	122.0263	92.9279	133.7743

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 89 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 90 through 170 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 171 through 230 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 2 through 89 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 90 through 170 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 171 through 229 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 2 through 89 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 90 through 170 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 171 through 230 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 2 through 89 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 90 through 170 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 171 through 228 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 2 through 89 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 90 through 170 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 171 through 229 )
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 2 through 89 )
17	X-RAY DIFFRACTION	17	chain 'F' and (resid 90 through 170 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid 171 through 231 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 2 through 89 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 90 through 170 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 190 through 228 )
22	X-RAY DIFFRACTION	22	chain 'H' and (resid 2 through 89 )
23	X-RAY DIFFRACTION	23	chain 'H' and (resid 90 through 170 )
24	X-RAY DIFFRACTION	24	chain 'H' and (resid 171 through 227 )
25	X-RAY DIFFRACTION	25	chain 'I' and (resid 2 through 89 )
26	X-RAY DIFFRACTION	26	chain 'I' and (resid 90 through 170 )
27	X-RAY DIFFRACTION	27	chain 'I' and (resid 171 through 229 )
28	X-RAY DIFFRACTION	28	chain 'J' and (resid 2 through 89 )
29	X-RAY DIFFRACTION	29	chain 'J' and (resid 98 through 170 )
30	X-RAY DIFFRACTION	30	chain 'J' and (resid 171 through 227 )
31	X-RAY DIFFRACTION	31	chain 'K' and (resid 2 through 89 )
32	X-RAY DIFFRACTION	32	chain 'K' and (resid 98 through 170 )
33	X-RAY DIFFRACTION	33	chain 'K' and (resid 171 through 228 )
34	X-RAY DIFFRACTION	34	chain 'L' and (resid 2 through 89 )
35	X-RAY DIFFRACTION	35	chain 'L' and (resid 90 through 170 )
36	X-RAY DIFFRACTION	36	chain 'L' and (resid 171 through 228 )

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