PDB-6g60: Choline sulfatase from Ensifer (Sinorhizobium) meliloti cocrystal...

ID or keywords:

Entry

Database: PDB / ID: 6g60

Title

Choline sulfatase from Ensifer (Sinorhizobium) meliloti cocrystalized with choline

Components

Choline-sulfatase

Keywords

HYDROLASE / Choline-sulfatase

Function / homology

Function and homology information

choline biosynthetic process / choline-sulfatase / choline-sulfatase activity / metal ion binding / cytoplasm
Similarity search - Function

Biological species

Rhizobium meliloti (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.84 Å

Authors

Martinez-Rodriguez, S. / Camara-Artigas, A.

Citation

Journal: Acta Crystallogr D Struct Biol / Year: 2022
Title: Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Authors: Gavira, J.A. / Camara-Artigas, A. / Neira, J.L. / Torres de Pinedo, J.M. / Sanchez, P. / Ortega, E. / Martinez-Rodriguez, S.

History

Deposition	Mar 30, 2018	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 10, 2019	Provider: repository / Type: Initial release
Revision 2.0	Apr 24, 2019	Group: Data collection / Polymer sequence / Category: entity_poly / pdbx_seq_map_depositor_info Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_seq_map_depositor_info.one_letter_code
Revision 2.1	Mar 8, 2023	Group: Database references / Derived calculations Category: citation / citation_author ...citation / citation_author / database_2 / struct_conn / struct_conn_type Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id
Revision 2.2	Nov 13, 2024	Group: Data collection / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature / struct_conn Item: _struct_conn.pdbx_leaving_atom_flag

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6g60.cif.gz	820.8 KB	Display	PDBx/mmCIF format
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PDBx/mmJSON format	6g60.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g6/6g60 ftp://data.pdbj.org/pub/pdb/validation_reports/g6/6g60	HTTPS FTP

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Related structure data

Related structure data	6g5zC 7pthC 7ptjC C: citing same article (ref.)
Similar structure data	6fny-2 6fny-1 4ug4-1 4ug4-3 4ug4-2 1z4z-1 1z50-1 3sbf-5 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

6g5zC

7pthC

7ptjC

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	#50 - Feb 2004 Glycolytic Enzymes similarity (1)

Deposited unit

A: Choline-sulfatase

B: Choline-sulfatase

C: Choline-sulfatase

D: Choline-sulfatase

hetero molecules

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

1

A: Choline-sulfatase

C: Choline-sulfatase

hetero molecules

A: Choline-sulfatase

C: Choline-sulfatase

hetero molecules

defined by software
Evidence: light scattering
234 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Choline-sulfatase

C: Choline-sulfatase

hetero molecules

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

3

B: Choline-sulfatase

D: Choline-sulfatase

hetero molecules

B: Choline-sulfatase

D: Choline-sulfatase

hetero molecules

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

4

B: Choline-sulfatase

D: Choline-sulfatase

hetero molecules

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

Unit cell

Length a, b, c (Å)	128.538, 206.898, 116.602
Angle α, β, γ (deg.)	90.000, 110.170, 90.000
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	B-605- SO4

#1: Protein	Choline-sulfatase Mass: 58148.066 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhizobium meliloti (strain 1021) (bacteria) Strain: 1021 / Gene: betC, R00949, SMc00127 / Plasmid: pET22b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: O69787, choline-sulfatase
#2: Chemical	ChemComp-CHT / CHOLINE ION Mass: 104.171 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₅H₁₄NO
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: SO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1218 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.13 Å³/Da / Density % sol: 60.69 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 1.0 M Lithium sulfate, 0.1M Hepes pH 7.0

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: MASSIF-1 / Wavelength: 0.965 Å

Detector

Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Feb 25, 2015

Radiation

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

Radiation wavelength

Wavelength: 0.965 Å / Relative weight: 1

Reflection

Resolution: 1.84→103.45 Å / Num. obs: 411516 / % possible obs: 95.1 % / Redundancy: 2.4 % / B_iso Wilson estimate: 27.65 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.04 / R_pim(I) all: 0.031 / R_rim(I) all: 0.051 / Net I/σ(I): 13.1 / Num. measured all: 563519 / Scaling rejects: 19

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
1.84-1.87	2.4	0.501	27428	11449	0.697	0.4	0.645	2	94.1
10.08-103.45	2.5	0.023	3679	1453	0.998	0.017	0.028	35.1	95.1

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
Aimless	0.5.27	data scaling
PHASER		phasing
PHENIX		refinement
PDB_EXTRACT	3.24	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.84→75.183 Å / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 1.92 / Phase error: 20.44 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1987	20514	4.98 %
R_work	0.1688	391002	-
obs	0.1703	411516	84.09 %

Solvent computation

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

Displacement parameters

B_iso max: 104.68 Å² / B_iso mean: 34.0352 Å² / B_iso min: 13.54 Å²

Refinement step

Cycle: final / Resolution: 1.84→75.183 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16000	0	67	1218	17285
B_iso mean	-	-	51.37	37.55	-
Num. residues	-	-	-	-	2024

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	16528
X-RAY DIFFRACTION	f_angle_d	1.018	22553
X-RAY DIFFRACTION	f_chiral_restr	0.059	2385
X-RAY DIFFRACTION	f_plane_restr	0.007	2970
X-RAY DIFFRACTION	f_dihedral_angle_d	5.044	11681

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.84-1.8609	0.3434	741	0.2922	12836	13577	84
1.8609-1.8828	0.3129	694	0.2733	12355	13049	79
1.8828-1.9058	0.2917	615	0.2575	12187	12802	78
1.9058-1.9299	0.2884	704	0.243	12492	13196	81
1.9299-1.9553	0.2831	648	0.2343	12095	12743	79
1.9553-1.9821	0.268	659	0.2195	12860	13519	83
1.9821-2.0104	0.2435	798	0.2113	13938	14736	90
2.0104-2.0404	0.2172	697	0.1982	13907	14604	90
2.0404-2.0723	0.2494	761	0.1945	13835	14596	90
2.0723-2.1063	0.2244	708	0.1983	13952	14660	90
2.1063-2.1426	0.2356	758	0.1993	13763	14521	89
2.1426-2.1816	0.2302	701	0.1902	13787	14488	89
2.1816-2.2235	0.2336	632	0.1882	13770	14402	89
2.2235-2.2689	0.21	632	0.178	13719	14351	88
2.2689-2.3183	0.2265	686	0.1753	13512	14198	87
2.3183-2.3722	0.2132	698	0.1754	13485	14183	86
2.3722-2.4315	0.2095	677	0.1672	13314	13991	85
2.4315-2.4973	0.1921	696	0.1671	13012	13708	84
2.4973-2.5707	0.1851	606	0.1625	12672	13278	82
2.5707-2.6537	0.1977	641	0.1741	11860	12501	77
2.6537-2.7486	0.2265	604	0.1806	11882	12486	77
2.7486-2.8586	0.2177	627	0.1764	11840	12467	76
2.8586-2.9887	0.2159	694	0.1807	13538	14232	87
2.9887-3.1463	0.2123	748	0.1765	13304	14052	86
3.1463-3.3434	0.1897	717	0.1698	13180	13897	85
3.3434-3.6016	0.1669	658	0.1534	12990	13648	84
3.6016-3.964	0.1587	733	0.1344	12806	13539	83
3.964-4.5375	0.1584	597	0.1271	12514	13111	80
4.5375-5.7165	0.162	637	0.141	11498	12135	74
5.7165-75.2456	0.1764	747	0.1596	14099	14846	91

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	0.3627	-0.1073	-0.0504	0.0629	-0.0434	0.3682	-0.1398	-0.0743	0.0461	0.1024	0.1062	0.0786	0.0785	-0.1143	-0.0006	0.2813	0.0355	-0.0261	0.2196	0.0007	0.1783	22.6874	2.6909	60.3153
2	0.0195	-0.0437	-0.0491	0.0993	0.0673	0.0439	-0.058	0.0906	0.0956	-0.1519	0.0485	-0.0778	-0.0239	-0.082	-0.0018	0.3103	-0.0254	-0.0799	0.2834	0.006	0.1893	20.729	7.7997	39.6863
3	0.3829	-0.2687	0.1396	0.2764	-0.0836	0.1083	-0.1483	-0.03	0.0138	0.0176	0.11	0.0102	-0.0264	-0.0054	-0.0102	0.2637	0.0308	-0.024	0.1885	-0.0105	0.1361	35.7455	-2.0356	57.1804
4	0.1203	0.0796	0.0203	0.076	0.0701	0.1133	-0.1018	0.2141	-0.1523	-0.157	0.0081	0.1638	0.1227	-0.124	-0.0002	0.3758	-0.0752	-0.0581	0.3446	-0.0564	0.2716	11.7142	-6.7299	36.3313
5	0.2641	-0.2737	-0.0472	0.2798	-0.0624	0.1347	-0.1333	-0.0013	-0.0788	0.0868	0.0671	0.0882	0.1618	-0.0641	-0.0066	0.2826	-0.0029	-0.0109	0.1976	-0.0076	0.1505	25.5367	-7.925	52.4666
6	0.218	-0.1717	-0.0982	0.2262	0.2169	0.2308	-0.1859	-0.0764	-0.0501	0.1552	0.1023	0.2077	0.183	-0.1694	-0.01	0.3054	-0.0238	0.0389	0.2955	0.032	0.2382	7.8792	-2.556	60.5776
7	0.2733	0.088	-0.0095	0.4718	0.3979	0.4175	-0.1233	-0.0059	0.128	0.0326	-0.0044	0.081	-0.0354	-0.1321	-0.0344	0.1668	0.0458	-0.0111	0.2862	0.005	0.2102	10.8265	14.0482	51.598
8	0.0302	-0.0224	-0.0062	0.0043	-0.0086	-0.002	-0.0731	-0.2538	0.094	0.3606	0.1125	-0.0539	-0.0119	0.0579	-0	0.4535	0.0383	-0.0563	0.3495	-0.0354	0.2676	54.7955	6.1931	70.8315
9	0.4627	-0.1473	-0.2449	0.2516	0.0938	0.783	-0.0116	-0.078	0.0341	-0.0205	0.105	-0.0219	0.0456	0.1261	0.0715	0.1671	0.0258	0.0145	0.2093	-0.0306	0.1595	37.9842	-36.6734	92.1749
10	-0.0433	-0.1102	-0.1166	0.0829	0.1324	0.0303	-0.0357	-0.1331	-0.2148	0.1876	0.1653	0.2292	0.3159	-0.3201	0.0124	0.2766	-0.0657	-0.0538	0.2651	0.034	0.2894	20.1405	-42.0725	81.7998
11	0.2044	0.0031	-0.0927	0.3389	0.0947	0.4193	0.0643	-0.1432	0.0431	-0.0252	0.0627	0.0125	0.0345	-0.0303	0.0444	0.1549	0.032	0.015	0.2573	-0.0232	0.1442	28.744	-31.5837	102.1277
12	0.0843	-0.0321	0.0838	0.0834	-0.0659	0.146	0.1338	0.0609	0.035	-0.1236	0.0919	-0.0183	-0.2077	-0.309	0.0087	0.2165	0.0278	0.0206	0.3206	0.0738	0.2296	20.7644	-27.9123	71.892
13	0.2389	0.0006	-0.3975	0.0724	0.1855	0.6093	0.0821	-0.0412	0.123	0.0012	0.0632	-0.0314	-0.1051	-0.0572	0.2034	0.1495	0.0177	0.0381	0.2018	-0.0163	0.1566	29.5672	-26.134	91.635
14	0.1378	-0.0344	-0.2454	0.4226	-0.2847	0.6016	-0.0288	-0.0673	0.0429	-0.0104	0.1193	-0.038	-0.0716	0.2618	0.103	0.1235	-0.0021	0.0205	0.2619	-0.0692	0.1975	46.8996	-33.1184	85.926
15	0.3914	-0.3775	0.0563	0.3718	-0.2767	1.1292	0.0985	0.0186	0.028	-0.1495	0.0278	-0.0004	0.0525	0.1045	0.2181	0.1571	-0.0106	0.0191	0.1546	-0.0311	0.1666	39.4379	-36.8892	68.7281
16	0.0626	-0.0577	-0.0676	0.1393	-0.0595	0.1256	-0.0778	-0.1009	0.0385	0.2132	0.1901	0.0622	-0.1663	0.2665	0	0.5059	0.0557	0.0383	0.4672	-0.0075	0.4537	29.772	-46.5881	113.8196
17	0.6609	-0.1072	-0.0822	0.4993	0.0909	0.2427	-0.0378	-0.0295	0.2238	0.075	0.0663	0.0506	0.0029	0.0424	0.0032	0.1529	0.0562	-0.0497	0.1803	-0.0136	0.2756	25.2666	41.559	59.5409
18	0.2086	0.1204	0.0328	0.1739	-0.0625	0.061	0.024	0.055	0.3169	-0.0126	0.0288	0.04	-0.0495	0.0597	0.0001	0.1841	0.0231	-0.0445	0.251	-0.0388	0.3736	32.9552	49.5278	57.7407
19	0.2815	0.1316	0.2024	0.7646	-0.1282	0.2795	0.1453	-0.4619	0.3687	0.4131	0.1691	0.1764	-0.0757	0.0561	0.1499	0.392	0.1306	0.0134	0.3744	-0.2618	0.44	18.5452	51.8873	81.701
20	0.1519	-0.0094	0.0225	0.1078	-0.1064	0.0895	0.0032	-0.0761	0.4314	-0.0346	0.0254	0.0143	-0.0081	0.1426	-0.0011	0.2093	0.0373	-0.0547	0.2713	-0.0776	0.4554	32.5381	56.0787	63.1876
21	0.343	-0.0098	-0.0487	0.3296	0.0218	0.1008	-0.0142	0.0113	0.3355	-0.0062	0.0072	0.1584	-0.0824	-0.0606	-0.0061	0.1884	0.0727	-0.0486	0.2441	0.0017	0.4276	17.3029	48.456	55.0115
22	-0.0155	-0.0454	-0.0425	0.2263	0.1462	0.0934	-0.0527	-0.0834	0.3029	0.2061	-0.0366	0.0928	0.0208	-0.127	-0.0845	0.1747	0.1248	-0.0609	0.2574	0.0289	0.4381	8.5388	44.1724	58.2577
23	0.0365	-0.0518	-0.0791	0.065	0.0777	0.1072	0.0329	-0.0389	0.3651	0.2247	0.0855	0.1598	0.0279	-0.0198	0.0225	0.1927	0.1377	0.0617	0.2125	-0.05	0.5423	1.4458	50.6519	71.5573
24	0.0199	-0.0022	-0.0643	0.1682	0.1603	0.2168	-0.1242	-0.1156	0.0067	0.3372	0.131	0.1869	0.1084	0.009	0.0045	0.2545	0.0968	0.0246	0.2443	-0.0003	0.3381	5.2163	33.6055	69.4194
25	0.1828	0.0538	0.0372	0.1652	0.0181	-0.011	-0.0833	0.1866	0.3226	-0.1284	0.2251	-0.014	-0.034	0.001	0.0001	0.3257	-0.04	-0.0628	0.3937	0.0416	0.3631	44.315	32.4946	46.893
26	0.2204	0.1774	0.1087	0.2052	-0.0666	0.3045	-0.0543	-0.0776	-0.0209	-0.1597	0.0448	0.0318	0.1682	0.0731	-0	0.3756	0.0405	0.0683	0.2264	0.0149	0.3053	34.0995	-76.3582	89.5565
27	-0.028	0.0309	-0.0702	0.0607	-0.0386	0.0278	0.0476	-0.1189	0.053	0.3313	0.091	-0.0152	-0.1126	0.113	0.0001	0.3978	0.1625	-0.0539	0.4958	-0.0194	0.5012	50.5646	-71.5555	101.7924
28	0.1507	0.2442	-0.0538	0.3535	-0.0712	0.1054	-0.0885	-0.2106	0.0245	-0.0193	0.0174	0.0901	0.2918	-0.0694	-0	0.3423	0.0262	0.0777	0.284	0.0677	0.3613	28.28	-81.3125	101.6687
29	0.1048	0.039	-0.1562	0.5872	-0.0044	0.8545	-0.1371	-0.1713	-0.2273	-0.187	-0.0701	-0.1878	0.819	0.0352	-0.1313	0.3931	0.2961	0.1177	0.1911	0.1407	0.4397	45.4297	-86.5725	96.8269
30	0.2313	0.2422	-0.1677	0.5352	-0.2024	0.0385	-0.2023	0.0035	-0.1732	-0.3009	0.1325	-0.1646	0.2466	0.0404	0.0056	0.5253	0.0527	0.1012	0.2499	-0.0444	0.3574	43.4163	-81.5765	78.3238
31	0.3826	0.152	0.0859	0.2513	-0.1234	0.1288	-0.2693	-0.0079	-0.0387	0.0603	0.1532	-0.3623	0.2455	-0.0471	-0.0736	0.4015	0.0695	0.0684	0.2765	-0.0548	0.3381	53.2305	-67.0733	80.1598
32	0.0832	-0.1019	-0.0778	0.2548	-0.0683	0.0865	-0.245	0.0508	-0.1394	-0.0106	0.1148	0.2974	0.3094	-0.1416	-0.0001	0.5221	-0.0098	0.0562	0.5689	-0.0299	0.546	18.2271	-66.1501	106.2826

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 5 through 121 )	A	5 - 121
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 122 through 159 )	A	122 - 159
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 160 through 214 )	A	160 - 214
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 215 through 251 )	A	215 - 251
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 252 through 313 )	A	252 - 313
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 314 through 431 )	A	314 - 431
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 432 through 487 )	A	432 - 487
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 488 through 512 )	A	488 - 512
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 5 through 121 )	B	5 - 121
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 122 through 159 )	B	122 - 159
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 160 through 214 )	B	160 - 214
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 215 through 251 )	B	215 - 251
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 252 through 313 )	B	252 - 313
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 314 through 391 )	B	314 - 391
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 392 through 472 )	B	392 - 472
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 473 through 510 )	B	473 - 510
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 5 through 182 )	C	5 - 182
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 183 through 214 )	C	183 - 214
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 215 through 251 )	C	215 - 251
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 252 through 282 )	C	252 - 282
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 283 through 360 )	C	283 - 360
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 361 through 391 )	C	361 - 391
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 392 through 431 )	C	392 - 431
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 432 through 472 )	C	432 - 472
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 473 through 509 )	C	473 - 509
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 5 through 121 )	D	5 - 121
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 122 through 159 )	D	122 - 159
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 160 through 214 )	D	160 - 214
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 215 through 313 )	D	215 - 313
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 314 through 431 )	D	314 - 431
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 432 through 472 )	D	432 - 472
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 473 through 509 )	D	473 - 509

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