PDB-5tea: Crystal structure of an inorganic pyrophosphatase from Neisseria ...

ID or keywords:

Entry

Database: PDB / ID: 5tea

Title

Crystal structure of an inorganic pyrophosphatase from Neisseria gonorrhoeae

Components

Inorganic pyrophosphatase

Keywords

HYDROLASE / structural genomics / SSGCID / NIAID / gonococci / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

inorganic diphosphatase / inorganic diphosphate phosphatase activity / phosphate-containing compound metabolic process / magnesium ion binding / cytosol
Similarity search - Function

Biological species

Neisseria gonorrhoeae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of an inorganic pyrophosphatase from
Authors: Edwards, T.E. / Horanyi, P.S. / Seattle Structural Genomics Center for Infectious Disease (SSGCID)

History

Deposition	Sep 20, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 5, 2016	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_prerelease_seq / pdbx_struct_conn_angle / pdbx_struct_oper_list / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_dist_value / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5tea.cif.gz	433.1 KB	Display	PDBx/mmCIF format
PDB format	pdb5tea.ent.gz	353.4 KB	Display	PDB format
PDBx/mmJSON format	5tea.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5tea_validation.pdf.gz	470.4 KB	Display	wwPDB validaton report
Full document	5tea_full_validation.pdf.gz	476.4 KB	Display
Data in XML	5tea_validation.xml.gz	44.7 KB	Display
Data in CIF	5tea_validation.cif.gz	64.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/te/5tea ftp://data.pdbj.org/pub/pdb/validation_reports/te/5tea	HTTPS FTP

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Related structure data

Related structure data	3i98S S: Starting model for refinement
Similar structure data	3i98-1 1twl-2 3r5u-1 2au6-1 1ygz-3 3q4w-1 3r5v-1 3i98-2 3r5v-2 3q3l-1 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	TargetTrack: SSGCID-NegoA.01623.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Inorganic pyrophosphatase

B: Inorganic pyrophosphatase

C: Inorganic pyrophosphatase

D: Inorganic pyrophosphatase

E: Inorganic pyrophosphatase

F: Inorganic pyrophosphatase

hetero molecules

125 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	142.720, 65.650, 133.210
Angle α, β, γ (deg.)	90.000, 115.650, 90.000
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	B-419- HOH

#1: Protein	Inorganic pyrophosphatase / Pyrophosphate phospho-hydrolase / PPase Mass: 20821.441 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neisseria gonorrhoeae (bacteria) / Gene: ppa / Production host: Escherichia coli (E. coli) / References: UniProt: Q9K0G4, inorganic diphosphatase
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Ca
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 749 / 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: 45.37 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop Details: NegoA.01623.a.B1.PS37944 at 32.6 mg/mL against JCSG A4, 0.2M CaCl2, 0.1 M NaOAc pH 4.6, 30% MPD

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97872 Å

Detector

Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 23, 2016

Radiation

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

Radiation wavelength

Wavelength: 0.97872 Å / Relative weight: 1

Reflection

Resolution: 1.85→50 Å / Num. obs: 94722 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / Redundancy: 3.5 % / B_iso Wilson estimate: 24.24 Å² / CC_1/2: 0.995 / R_merge(I) obs: 0.086 / Net I/σ(I): 8.79

Reflection shell

Resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	CC_1/2	Diffraction-ID	% possible all
1.85-1.9	0.559	2.44	0.806	1	99.9
1.9-1.95	0.448	3.01	0.874	1	99.7
1.95-2.01	0.346	3.81	0.906	1	99.7
2.01-2.07	0.268	4.69	0.94	1	99.6
2.07-2.14	0.217	5.64	0.956	1	99.5
2.14-2.21	0.177	6.72	0.966	1	99.6
2.21-2.29	0.156	7.46	0.97	1	99.6
2.29-2.39	0.136	8.18	0.977	1	99.5
2.39-2.49	0.12	9.08	0.98	1	99.7
2.49-2.62	0.108	9.94	0.981	1	99.6
2.62-2.76	0.099	11.11	0.984	1	99.7
2.76-2.93	0.088	12.2	0.987	1	99.6
2.93-3.13	0.082	13.26	0.987	1	99.5
3.13-3.38	0.077	14.12	0.988	1	99.5
3.38-3.7	0.071	14.84	0.989	1	99.5
3.7-4.14	0.066	15.54	0.992	1	99.2
4.14-4.78	0.061	16.23	0.993	1	99.6
4.78-5.85	0.056	16.33	0.994	1	99.5
5.85-8.27	0.051	16.27	0.995	1	99.6
8.27-50	0.042	16.13	0.996	1	95.5

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	dev_2499	refinement
PDB_EXTRACT	3.2	data extraction
XDS		data reduction
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3I98

3i98

Resolution: 1.85→40.029 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.35

	R_factor	Num. reflection	% reflection
R_free	0.2089	2041	2.16 %
R_work	0.1695	-	-
obs	0.1704	94708	99.66 %

Solvent computation

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

Displacement parameters

B_iso max: 100.33 Å² / B_iso mean: 31.5184 Å² / B_iso min: 11.15 Å²

Refinement step

Cycle: final / Resolution: 1.85→40.029 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8047	0	13	749	8809
B_iso mean	-	-	38.85	37	-
Num. residues	-	-	-	-	1042

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	8283
X-RAY DIFFRACTION	f_angle_d	0.771	11286
X-RAY DIFFRACTION	f_chiral_restr	0.057	1278
X-RAY DIFFRACTION	f_plane_restr	0.005	1496
X-RAY DIFFRACTION	f_dihedral_angle_d	13.302	4972

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 15

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.85-1.893	0.3612	146	0.2678	6120	6266	100
1.893-1.9404	0.3032	132	0.2308	6179	6311	100
1.9404-1.9928	0.2329	147	0.2114	6158	6305	100
1.9928-2.0515	0.2437	122	0.2005	6152	6274	100
2.0515-2.1177	0.2348	118	0.1935	6160	6278	100
2.1177-2.1934	0.2375	142	0.1848	6134	6276	100
2.1934-2.2812	0.2168	145	0.1776	6123	6268	100
2.2812-2.385	0.2307	134	0.1805	6181	6315	100
2.385-2.5107	0.2353	120	0.1809	6175	6295	100
2.5107-2.668	0.2306	152	0.1768	6141	6293	100
2.668-2.8739	0.2125	142	0.1754	6169	6311	100
2.8739-3.163	0.2211	144	0.1727	6202	6346	100
3.163-3.6205	0.2115	123	0.1584	6192	6315	100
3.6205-4.5604	0.1485	146	0.1337	6229	6375	100
4.5604-40.038	0.181	128	0.1527	6352	6480	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	3.9379	0.3572	-0.2357	3.8771	0.4856	3.5243	0.2338	-0.5107	-0.2893	0.0857	-0.213	1.2994	-0.0001	-0.9498	-0.0834	0.4002	-0.1722	-0.036	0.5522	0.0229	0.4007	-19.3919	-5.0553	43.7522
2	1.2269	0.9627	0.3737	2.724	0.1213	1.1742	0.0747	-0.084	0.1403	0.1971	-0.0119	0.334	-0.0506	-0.318	-0.039	0.2335	-0.0044	0.0408	0.2715	0.0394	0.1878	-8.2841	10.3119	45.924
3	1.6121	-0.0745	1.1288	2.6147	-0.5063	0.8547	0.0532	-0.2598	-0.0144	0.2807	0.0677	0.2395	-0.1114	-0.315	-0.1698	0.2098	-0.029	0.0199	0.268	0.0212	0.153	-8.5216	2.4667	45.5422
4	1.1486	-0.0958	0.9916	1.3678	-0.5609	3.9664	-0.0191	-0.0844	-0.1393	0.0651	0.0567	0.0785	0.4272	-0.3436	-0.027	0.2401	-0.0742	0.0123	0.1941	0.0422	0.1878	-4.2423	-5.6352	43.7877
5	2.1235	1.3378	-0.5193	3.2119	-0.1093	4.1266	-0.0321	-0.2575	-0.0753	0.2617	-0.0062	0.0322	0.0819	0.1057	0.044	0.1761	0.0049	-0.0173	0.187	0.042	0.1453	4.8598	2.1002	53.805
6	7.8035	-4.2832	0.2298	8.4451	-1.1913	3.5538	-0.0268	-0.6314	-0.1406	0.202	0.1713	0.2897	0.1343	-0.5829	-0.062	0.3411	-0.1363	0.0065	0.4082	0.0949	0.2369	-15.6402	-7.898	53.975
7	3.2715	-1.767	5.422	6.9272	-2.949	9.1745	-0.1331	0.0091	-0.0466	0.1692	-0.0685	-0.944	0.4206	1.1588	0.0935	0.2498	0.0362	0.0229	0.5273	-0.0315	0.3591	24.8631	22.5674	6.5675
8	0.7366	0.1119	-0.1954	0.3677	0.7351	4.0614	0.1915	-0.105	0.1145	0.0193	0.0228	-0.1464	-0.396	0.5191	-0.2189	0.2104	-0.0603	0.0145	0.1828	-0.0072	0.1796	17.7709	26.92	22.9706
9	3.1283	-0.9895	-0.4667	1.6096	-0.2295	3.672	0.1027	-0.0941	0.2432	0.151	0.0245	-0.1594	-0.4033	0.3354	-0.092	0.191	-0.0441	-0.0083	0.1512	-0.0346	0.1404	15.6133	26.1863	15.3344
10	0.8103	-0.1569	-0.0013	2.4235	1.1017	2.0636	-0.0223	0.0154	-0.0039	0.0181	0.1152	-0.1225	-0.1439	0.0342	-0.1016	0.1423	-0.01	0.0182	0.1456	0.0115	0.1092	9.7765	26.3584	8.4166
11	1.706	1.1881	-1.2051	4.5072	0.5121	6.3066	0.1761	-0.0877	0.1617	0.3968	-0.1336	0.0704	-0.5416	0.0821	-0.0012	0.2364	0.0199	0.0314	0.1493	0.0121	0.1528	5.1029	37.7552	17.2655
12	9.0323	-0.0165	3.7783	6.4835	-0.7625	4.1204	0.2298	0.4979	0.5775	-0.2555	-0.018	-0.4989	-0.5767	0.6822	-0.0687	0.2823	-0.1103	0.097	0.2895	-0.019	0.2036	22.0226	33.5432	3.0848
13	7.2847	-1.6373	0.2187	1.276	2.0356	5.2209	-0.0025	0.4145	0.5201	-0.2151	-0.0683	-0.6735	-0.3537	0.8455	0.189	0.2455	-0.0149	-0.0394	0.4432	-0.0196	0.4407	32.0716	-1.0916	23.6398
14	2.2987	-1.0444	1.667	1.8191	-1.4755	2.3497	0.0401	0.235	0.0676	-0.1032	-0.1072	-0.2225	-0.0672	0.2851	0.0977	0.1979	-0.0006	0.0121	0.1801	-0.0264	0.2114	17.5359	7.0723	16.4597
15	5.6657	-2.1671	-1.3205	4.4117	-0.1153	3.5917	0.0852	0.7186	-0.1775	-0.6151	-0.2324	-0.313	0.0745	0.2921	0.1708	0.2623	0.001	0.0245	0.2526	-0.0344	0.2105	21.8167	-0.9638	16.1912
16	2.0354	-0.0163	0.7597	4.9887	1.9709	4.9415	0.0166	0.1691	-0.0603	-0.1853	-0.0245	-0.1379	0.0303	0.1339	-0.0065	0.1126	-0.0035	0.0151	0.1356	-0.0003	0.1531	17.8811	-3.201	21.6733
17	1.3331	-0.3002	1.5059	1.4268	0.1544	5.0568	0.1984	0.0041	-0.0643	-0.0965	-0.0571	0.0205	0.578	-0.0731	-0.1617	0.198	-0.0085	0.0219	0.1227	0.0012	0.1878	9.3284	-6.0225	22.3738
18	3.3677	1.3585	0.9427	4.2547	-0.8227	1.777	0.0979	0.3971	-0.6151	-0.2283	-0.038	-0.6599	0.2232	0.4913	-0.0364	0.2757	0.0837	0.0415	0.2678	-0.0886	0.2343	24.6906	-11.0344	15.6475
19	3.5326	0.7846	2.6299	3.6387	0.2112	2.6931	0.2127	-0.4244	-0.3719	0.9377	-0.0325	0.9797	-0.0466	-0.9791	-0.3102	0.4068	0.1049	0.1039	0.7319	0.0681	0.5398	-27.9746	15.3618	21.8277
20	1.6444	-1.2744	0.1054	2.2229	-0.8981	2.1859	0.0589	-0.0177	-0.1777	0.1681	0.0911	0.4085	0.1387	-0.458	-0.0626	0.1766	-0.0766	0.0181	0.282	0.0111	0.2057	-15.0661	6.7525	23.7788
21	1.111	-0.4783	-0.2343	2.4395	0.8248	2.3371	0.0653	0.1712	-0.1658	-0.0805	-0.081	0.2624	0.0099	-0.3098	0.0185	0.1031	-0.0112	-0.0284	0.3093	0.0019	0.216	-14.984	13.7703	12.8754
22	2.8133	-1.5212	0.2113	2.5221	0.3496	1.7639	0.1115	0.2271	-0.3415	-0.1405	-0.192	0.5432	0.3678	-0.6075	-0.0258	0.1724	-0.1131	-0.0489	0.3847	-0.0395	0.249	-15.7849	2.7629	11.5321
23	3.1899	1.7814	-0.2268	5.0293	0.1566	2.2073	0.0284	0.0821	-0.1881	-0.1523	0.0888	-0.9237	-0.3436	0.4325	-0.0809	0.1739	-0.061	0.0062	0.2496	-0.0341	0.263	27.5395	22.875	36.0959
24	3.3497	2.1413	1.2824	1.4622	0.6742	0.7348	-0.1906	-0.1825	-0.1839	0.0237	0.2176	-0.8015	0.4115	0.4505	0.112	0.1865	0.0224	-0.0027	0.3328	-0.0583	0.4177	28.8761	10.2131	33.422
25	1.6503	0.4792	-1.61	3.1594	-1.072	3.0537	0.0231	-0.2748	-0.163	0.1807	-0.0336	-0.3024	0.0781	0.4337	-0.0321	0.1191	-0.0143	-0.0383	0.2275	-0.0199	0.1553	19.7818	5.7449	38.0228
26	2.8262	1.5042	-1.3872	4.5297	0.5883	4.5213	-0.0401	-0.1889	-0.2363	0.1069	0.0471	-0.4343	0.0871	0.3707	0.0217	0.1369	-0.0246	-0.0133	0.1874	-0.0218	0.1712	23.9784	18.447	39.2515
27	1.2408	0.3446	0.0605	2.1402	-0.7171	2.3702	0.0617	-0.1492	-0.0728	0.1727	-0.053	-0.2502	-0.2513	0.2991	0.0046	0.2225	-0.088	-0.026	0.2574	-0.0346	0.1948	21.0204	25.4461	44.6762
28	2.1793	0.2854	0.4703	6.2673	-0.6895	2.3275	0.1036	-0.2689	-0.1115	0.3549	-0.0507	-0.1718	-0.0302	0.2983	-0.0543	0.2414	-0.0421	-0.0206	0.269	-0.0071	0.116	17.5915	12.8147	52.8123
29	6.6641	-2.1253	-2.9019	3.2666	0.7352	4.0743	0.1117	-0.7363	-0.1474	0.2569	0.0293	-0.8214	-0.3736	1.1107	-0.0773	0.2359	-0.1557	-0.0937	0.5592	-0.042	0.4662	35.8225	24.5405	46.5741
30	1.8092	-0.397	-0.9844	1.7958	1.3041	4.4885	0.0466	-0.0506	-0.0704	0.4176	0.0111	0.4725	0.044	-0.8481	-0.0241	0.2813	0.0321	0.1233	0.3057	0.0679	0.2749	-15.5528	25.3254	44.0383
31	3.1106	2.1718	-0.8237	2.1486	-0.8038	4.0837	0.1541	-0.082	0.1395	0.1547	0.0838	0.4233	-0.1101	-0.5768	-0.2885	0.1925	0.05	0.0438	0.2905	0.041	0.319	-15.6204	24.881	28.5545
32	3.8846	-0.4383	-0.6094	3.1973	1.3763	1.2513	0.1166	0.5612	0.4986	-0.1669	0.0861	0.559	-0.5347	-0.9608	-0.1822	0.3226	0.1321	0.0495	0.494	0.1204	0.3207	-15.8025	30.6815	37.8955
33	1.3133	1.1264	-0.4264	6.9114	-1.1097	3.6891	0.1225	-0.1126	0.0834	0.2367	0.0579	0.1648	-0.3331	-0.1853	-0.1808	0.1938	0.0498	0.0631	0.2135	0.0112	0.1608	-8.4978	28.6032	41.6279
34	2.4592	-0.972	-0.7667	3.9586	-1.243	2.2357	0.095	-0.066	0.2416	0.2422	0.1244	0.0943	-0.5191	-0.1019	-0.1815	0.3053	0.027	0.087	0.2051	-0.0205	0.1756	-3.9846	31.4515	46.0183
35	0.8213	0.4502	0.6667	1.5689	0.9358	5.193	0.0724	0.05	0.1875	0.236	-0.0353	0.1096	-0.8014	-0.2568	-0.0192	0.3886	0.0622	0.102	0.2129	0.0092	0.231	-4.5324	39.7219	31.1632
36	6.066	0.2408	-1.3667	4.7157	1.6666	3.2646	0.2595	0.0222	0.5027	0.269	-0.0583	1.1226	-0.7439	-0.7359	-0.0859	0.5149	0.2334	0.2506	0.4602	0.0952	0.4997	-20.9597	37.3681	47.0814

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 4 through 16 )	A	4 - 16
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 17 through 51 )	A	17 - 51
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 52 through 85 )	A	52 - 85
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 86 through 128 )	A	86 - 128
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 129 through 158 )	A	129 - 158
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 159 through 176 )	A	159 - 176
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 3 through 16 )	B	3 - 16
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 17 through 51 )	B	17 - 51
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 52 through 85 )	B	52 - 85
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 86 through 128 )	B	86 - 128
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 129 through 158 )	B	129 - 158
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 159 through 176 )	B	159 - 176
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 3 through 16 )	C	3 - 16
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 17 through 51 )	C	17 - 51
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 52 through 71 )	C	52 - 71
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 72 through 111 )	C	72 - 111
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 112 through 150 )	C	112 - 150
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 151 through 176 )	C	151 - 176
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 3 through 16 )	D	3 - 16
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 17 through 85 )	D	17 - 85
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 86 through 128 )	D	86 - 128
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 129 through 176 )	D	129 - 176
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 3 through 29 )	E	3 - 29
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 30 through 39 )	E	30 - 39
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 40 through 51 )	E	40 - 51
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 52 through 85 )	E	52 - 85
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 86 through 128 )	E	86 - 128
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 129 through 158 )	E	129 - 158
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 159 through 175 )	E	159 - 175
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 3 through 29 )	F	3 - 29
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 30 through 51 )	F	30 - 51
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 52 through 71 )	F	52 - 71
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 72 through 99 )	F	72 - 99
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 100 through 128 )	F	100 - 128
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 129 through 158 )	F	129 - 158
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 159 through 176 )	F	159 - 176

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