PDB-4mtk: Crystal structure of PA0091 VgrG1, the central spike of the Type ...

ID or keywords:

Entry

Database: PDB / ID: 4mtk

Title

Crystal structure of PA0091 VgrG1, the central spike of the Type VI Secretion System

Components

VgrG1

Keywords

TOXIN / Beta-barrel / OB-fold / Beta-helix / Type VI secretion system central spike / Secreted outside of the cell

Function / homology

Function and homology information

type VI protein secretion system complex / protein secretion by the type VI secretion system / extracellular region
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.322 Å

Authors

Sycheva, L.V. / Shneider, M.M. / Leiman, P.G.

Citation

Journal: To be Published
Title: The conserved architecture of the T6SS central spike complex
Authors: Sycheva, L.V. / Shneider, M.M. / Basler, M. / Ho, B.T. / Mekalanos, J.J. / Leiman, P.G.

History

Deposition	Sep 19, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 1, 2014	Provider: repository / Type: Initial release
Revision 1.1	Nov 15, 2017	Group: Refinement description / Category: software
Revision 1.2	Sep 20, 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 / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4mtk.cif.gz	1.5 MB	Display	PDBx/mmCIF format
PDB format	pdb4mtk.ent.gz	1.3 MB	Display	PDB format
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Validation report

Summary document	4mtk_validation.pdf.gz	591.8 KB	Display	wwPDB validaton report
Full document	4mtk_full_validation.pdf.gz	646.6 KB	Display
Data in XML	4mtk_validation.xml.gz	131.1 KB	Display
Data in CIF	4mtk_validation.cif.gz	176.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mt/4mtk ftp://data.pdbj.org/pub/pdb/validation_reports/mt/4mtk	HTTPS FTP

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Related structure data

Related structure data	2p5zS S: Starting model for refinement
Similar structure data	4uhv-1 6h3n-d 4uhv-2 6h3l-d 4666 6w4q-1 3j9b-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: VgrG1

B: VgrG1

C: VgrG1

D: VgrG1

E: VgrG1

F: VgrG1

hetero molecules

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

1

A: VgrG1

B: VgrG1

C: VgrG1

hetero molecules

defined by author&software
230 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: VgrG1

E: VgrG1

F: VgrG1

hetero molecules

defined by author&software
227 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	168.275, 168.275, 652.849
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	169
Space group name H-M	P6₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain A
2	1	chain B
3	1	chain C
4	1	chain D
5	1	chain E
6	1	chain F

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / End auth comp-ID: PRO / End label comp-ID: PRO / Auth seq-ID: 5 - 640 / Label seq-ID: 5 - 640

Dom-ID	Selection details	Auth asym-ID	Label asym-ID
1	chain A	A	A
2	chain B	B	B
3	chain C	C	C
4	chain D	D	D
5	chain E	E	E
6	chain F	F	F

#1: Protein	VgrG1 Mass: 72098.375 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Gene: PA0091, vgrG1 / Plasmid: pTSL2 / Production host: Escherichia coli (E. coli) / Strain (production host): B834 / References: UniProt: Q9I741
#2: Chemical	... ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 256 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	ChemComp-TAM / TRIS(HYDROXYETHYL)AMINOMETHANE Mass: 163.215 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₇H₁₇NO₃ / Comment: pH buffer*YM
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 6 / 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: 6.17 Å³/Da / Density % sol: 80.06 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.4 M Li2SO4, 5% MPD, 100 mM BisTris, 10 mM CsCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction	Mean temperature: 103 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
Detector	Type: PSI PILATUS 6M / Detector: PIXEL / Date: May 12, 2012
Radiation	Monochromator: Fixed-exit LN2 cooled double crystal monochromator with Si(111) Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.32→50 Å / Num. all: 304602 / Num. obs: 304594 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 10.5 % / B_iso Wilson estimate: 70.42 Å² / R_merge(I) obs: 0.169 / Net I/σ(I): 13.3
Reflection shell	Resolution: 3.32→3.5 Å / % possible all: 99.5

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Processing

Software

Name	Version	Classification
RESOLVE		model building
PHENIX	(phenix.refine: 1.8.2_1309)	refinement
XDS		data reduction
XDS		data scaling
RESOLVE		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB Entry 2P5Z

2p5z

Resolution: 3.322→49.143 Å / SU ML: 0.32 / σ(F): 1.99 / Phase error: 18.43 / Stereochemistry target values: Engh & Huber

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1954	6084	2 %	Random
R_work	0.1697	-	-	-
all	0.1825	304594	-	-
obs	0.1754	304249	99.83 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.322→49.143 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29862	0	1302	6	31170

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	31614
X-RAY DIFFRACTION	f_angle_d	1.003	42990
X-RAY DIFFRACTION	f_dihedral_angle_d	14.748	11424
X-RAY DIFFRACTION	f_chiral_restr	0.04	4284
X-RAY DIFFRACTION	f_plane_restr	0.004	5592

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	18191	X-RAY DIFFRACTION	12.538	TORSIONAL
1	2	B	18191	X-RAY DIFFRACTION	12.538	TORSIONAL
1	3	C	18191	X-RAY DIFFRACTION	12.538	TORSIONAL
1	4	D	18191	X-RAY DIFFRACTION	12.538	TORSIONAL
1	5	E	18191	X-RAY DIFFRACTION	12.538	TORSIONAL
1	6	F	18191	X-RAY DIFFRACTION	12.538	TORSIONAL

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 (%)
3.3222-3.36	0.3049	192	0.3038	9611	X-RAY DIFFRACTION	96
3.36-3.3995	0.305	180	0.277	10002	X-RAY DIFFRACTION	100
3.3995-3.4409	0.2639	195	0.2501	9967	X-RAY DIFFRACTION	100
3.4409-3.4845	0.2711	236	0.2406	9888	X-RAY DIFFRACTION	100
3.4845-3.5303	0.2607	220	0.233	9961	X-RAY DIFFRACTION	100
3.5303-3.5787	0.2254	172	0.2294	10017	X-RAY DIFFRACTION	100
3.5787-3.6298	0.2059	210	0.2114	9858	X-RAY DIFFRACTION	100
3.6298-3.6839	0.2245	226	0.2075	9962	X-RAY DIFFRACTION	100
3.6839-3.7415	0.2393	190	0.2019	10106	X-RAY DIFFRACTION	100
3.7415-3.8028	0.2154	168	0.2016	9883	X-RAY DIFFRACTION	100
3.8028-3.8684	0.2146	195	0.1876	9915	X-RAY DIFFRACTION	100
3.8684-3.9387	0.2078	237	0.1695	9966	X-RAY DIFFRACTION	100
3.9387-4.0144	0.1953	219	0.1681	9942	X-RAY DIFFRACTION	100
4.0144-4.0963	0.1648	227	0.1683	9945	X-RAY DIFFRACTION	100
4.0963-4.1853	0.1669	206	0.1496	9910	X-RAY DIFFRACTION	100
4.1853-4.2826	0.1903	225	0.153	9966	X-RAY DIFFRACTION	100
4.2826-4.3897	0.1745	170	0.1445	9919	X-RAY DIFFRACTION	100
4.3897-4.5083	0.183	242	0.131	9919	X-RAY DIFFRACTION	100
4.5083-4.6408	0.1298	234	0.1197	9939	X-RAY DIFFRACTION	100
4.6408-4.7905	0.1488	152	0.1196	10029	X-RAY DIFFRACTION	100
4.7905-4.9616	0.1895	177	0.1396	9952	X-RAY DIFFRACTION	100
4.9616-5.16	0.1639	212	0.1431	9902	X-RAY DIFFRACTION	100
5.16-5.3946	0.1817	196	0.1519	10003	X-RAY DIFFRACTION	100
5.3946-5.6786	0.1797	207	0.1611	9938	X-RAY DIFFRACTION	100
5.6786-6.0338	0.2152	187	0.1744	9968	X-RAY DIFFRACTION	100
6.0338-6.4987	0.197	203	0.1693	9989	X-RAY DIFFRACTION	100
6.4987-7.1509	0.2142	189	0.1804	9897	X-RAY DIFFRACTION	100
7.1509-8.1816	0.181	175	0.1758	9997	X-RAY DIFFRACTION	100
8.1816-10.2923	0.1556	227	0.1633	9951	X-RAY DIFFRACTION	100
10.2923-49.1483	0.2403	215	0.2062	9863	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	0.0547	-0.0048	0.0492	0.0539	-0.0234	0.0637	-0.04	-0.1039	0.1027	0.0231	0.0558	0.0121	0.055	0.2634	0.0047	0.9524	0.4771	0.0478	0.8551	0.1146	0.6051	13.6122	-13.1159	43.1835
2	0.2176	0.0742	-0.029	0.0829	0.0235	0.0797	0.0196	-0.0758	0.0107	-0.199	-0.0118	0.0532	0.188	0.1914	0.0136	0.9416	0.3924	0.0449	0.5639	0.0482	0.59	2.4366	-4.6692	23.6666
3	0.1511	-0.1172	-0.0303	0.1762	0.0551	0.1732	0.0776	-0.0467	0.0199	-0.0871	-0.0082	0.1194	-0.1729	-0.0699	0.1748	0.8012	0.459	-0.0257	0.2482	0.0063	0.5584	-43.0868	54.9909	27.6464
4	0.0096	0.0037	0.0424	0.0602	0.054	0.2757	-0.0561	0.0154	-0.0187	-0.0734	-0.0764	0.0075	0.1159	-0.0455	-0.0076	1.4375	0.3331	-0.0775	0.4942	0.0014	0.8042	-8.7781	-37.1784	11.9133
5	0.0037	0.0107	0.0036	0.053	0.0087	0.0252	0.0336	0.0389	-0.0718	-0.1962	-0.0855	0.0338	0.2347	-0.0574	-0.0007	1.1735	0.21	-0.1149	0.4706	-0.0128	0.7934	-22.0064	-19.1287	13.8516
6	0.0055	0.0163	0.0052	0.0332	0.0148	0.0095	-0.0338	-0.0035	-0.0236	-0.0369	-0.0953	0.0909	0.0024	-0.0576	-0	1.4124	0.1227	-0.0891	0.4427	0.0628	0.9692	-26.2385	-43.6575	22.3645
7	0.0085	-0.0018	0.0082	0.0029	0.0033	0.0123	-0.1274	-0.0418	-0.0985	0.0131	-0.055	0.0826	0.0229	-0.0718	-0.0002	1.0765	0.061	-0.0979	0.622	0.0135	0.9555	-38.9216	-14.0992	33.0675
8	-0.0024	-0.0173	-0.0178	0.0754	0.0891	0.1131	-0.0138	-0.0535	-0.0972	0.0839	-0.0963	0.0212	0.2424	-0.1049	0.0081	1.0916	0.1117	-0.1126	0.3859	0.0645	0.8052	-26.7211	-26.034	23.6395
9	0.0005	-0.0197	-0.0113	0.2109	-0.0083	0.2551	0.0403	0.0782	-0.004	-0.2359	-0.0148	-0.0082	0.0057	-0.1717	-0.0094	0.7999	0.3297	-0.1044	0.3456	0.0445	0.5375	-36.4322	40.7006	19.0918
10	0.0147	-0.0261	-0.0223	0.0472	0.0192	0.0707	-0.0137	-0.0247	0.0244	0.0159	-0.0476	-0.02	-0.161	0.0897	0.0026	1.1589	0.2935	-0.0116	0.5251	0.1844	0.9727	-46.2448	82.9377	13.2984
11	0.0011	-0.0027	-0.0023	0.0055	0.0066	0.0124	0.1087	-0.0369	0.0157	-0.0018	0.0299	0.0223	-0.0009	-0.0521	0.0001	1.1682	0.1451	-0.0022	0.5751	0.1434	0.7898	-21.7856	-35.9778	54.8553
12	0.0033	0.0006	0.0048	0.0096	0.002	0.0078	0.0199	-0.0864	-0.0816	0.0123	0.0412	-0.0128	0.0273	-0.0382	0	1.2411	0.0981	-0.0742	0.6385	0.178	0.9252	-26.38	-38.5754	53.0473
13	0.0201	-0.0076	0.0004	0.0106	0.0013	0.0307	-0.0178	-0.1491	-0.049	0.0256	0.0505	0.13	0.1397	-0.0264	0.0001	0.937	0.1483	-0.0226	0.6131	0.1237	0.6847	-27.1618	-9.3497	53.919
14	0.0067	0.0021	0.0119	-0.001	0.0038	0.0132	0.0003	-0.1114	-0.0789	-0.0152	-0.0363	-0.0432	0.1237	0.0138	0	0.8887	0.2701	0.0329	0.7021	0.2573	0.7076	-8.2956	-27.7016	65.9347
15	0.1115	0.08	-0.0632	0.0821	-0.0513	0.0664	-0.0109	-0.1139	-0.0805	-0.0291	-0.0662	0.0331	0.22	0.0822	-0	0.8456	0.3137	-0.0066	0.6635	0.0803	0.5829	-11.4874	-7.2756	54.36
16	0.1736	0.0121	-0.01	0.0237	0.0466	0.1384	0.0908	-0.2112	-0.0356	-0.0255	-0.0749	0.0982	-0.071	-0.2555	-0.1512	0.698	0.3901	-0.1039	0.4227	0.0028	0.5608	-42.8803	39.0681	26.2158
17	0.0136	-0.015	-0.0112	0.0207	0.016	0.011	0.1014	0.0949	-0.0595	-0.0685	0.0028	0.006	-0.1401	-0.1073	0.053	1.0514	0.4993	-0.2145	0.7678	0.0669	1.0438	-62.7413	75.0939	11.5371
18	0.0125	-0.016	-0.0103	0.0492	0.0166	0.0831	-0.0584	0.1041	0.0936	-0.1417	-0.1019	-0.0427	-0.4031	0.2168	-0	0.9351	0.2024	0.0575	0.8639	0.149	0.8363	-0.6765	31.3594	67.8164
19	-0.0013	-0.006	0.0029	0.0355	-0.019	0.0092	-0.0465	0.0393	0.0912	-0.1004	-0.0764	-0.02	-0.0453	0.033	0	1.2029	0.1394	0.0571	0.8565	0.0756	0.9127	-0.4592	50.7037	77.2763
20	0.035	-0.0489	0.0313	0.0341	-0.024	0.1759	-0.0609	0.0098	0.0702	-0.0255	-0.1235	-0.1175	-0.4145	0.367	-0.0012	0.9482	0.0124	0.1236	0.9375	0.1219	0.8413	15.5378	33.9947	82.1983
21	0.1059	0.1313	-0.025	0.1716	0.0171	0.2097	-0.0444	0.0855	-0.3096	-0.1479	0.0201	-0.3586	0.1894	0.5912	0.1737	0.5812	0.6743	0.3334	1.5624	0.1943	1.1125	55.0568	-22.0534	72.233
22	0.0038	-0.0021	0.0055	0.001	-0.0022	0.0078	0.0286	0.0159	-0.0341	0.0243	-0.0122	-0.0278	-0.0449	0.0724	0	0.9194	0.0789	0.0397	0.7442	-0.1085	0.6065	-0.3529	41.5046	109.7887
23	0.031	0.011	-0.0095	0.0246	0.0114	0.0565	0.036	-0.181	0.0813	-0.0065	-0.1042	-0.0058	-0.4089	0.2469	0	0.7928	-0.007	0.0278	0.9942	-0.0244	0.7039	11.9169	30.4928	108.3012
24	0.0037	-0.0012	-0.0077	0.0009	-0.0043	0.0158	0.0669	-0.0467	0.0545	0.0699	-0.0756	0.1074	-0.1502	0.0267	0	0.6334	0.1006	0.0096	0.9873	-0.1742	0.6892	-7.8397	27.3622	120.6195
25	0.0151	0.002	0.0167	0.004	0.0146	0.0328	-0.0085	-0.0164	-0.0191	0.0044	-0.1076	0.0333	0.0849	0.0656	-0.0001	0.5276	0.1393	-0.0152	1.1214	0.0623	0.6348	7.1694	0.2198	107.0043
26	0.0631	0.0161	0.0957	0.079	0.008	0.1496	-0.0589	-0.0969	0.13	0.1232	-0.1272	0.0548	-0.3049	0.1753	-0	0.6917	0.1209	0.0397	1.2187	0.0064	0.7018	3.7449	19.1793	110.1356
27	0.1144	0.0806	0.0149	0.0538	0.0031	0.0913	0.078	0.0249	-0.2213	-0.0828	-0.203	-0.1683	0.1712	0.4716	-0.2531	0.405	0.3335	0.1847	1.4851	0.2436	0.9175	47.7317	-5.7819	83.0661
28	0.0126	0.0134	-0.0095	0.0232	-0.0093	-0.0032	0.0842	0.0941	-0.0697	-0.0928	0.0549	-0.1312	-0.0095	0.105	0.1416	0.7373	0.7661	0.2843	1.6186	0.0317	1.6506	88.6084	-37.6167	67.0964
29	0.0223	-0.0036	-0.0049	0.0414	0.0024	0.0137	-0.0619	-0.056	0.0066	-0.111	0.0384	-0.0258	-0.0244	-0.0475	0	0.5929	0.2118	-0.0082	1.1981	0.0471	0.6613	-25.8451	7.7732	99.757
30	0.0446	-0.0186	0.0505	0.0313	-0.0021	0.062	0.0926	-0.0052	-0.1208	-0.1038	-0.0639	-0.0313	0.0548	-0.0565	0.0001	0.5177	0.1927	0.0046	1.0013	0.0639	0.649	-8.2061	-1.7175	89.6952
31	0.0257	-0.0085	0.0032	0.0002	-0.0021	0.008	0.0012	-0.0353	-0.1291	-0.1194	0.0065	0.0501	-0.1109	-0.0496	0.0001	0.5912	0.2557	-0.0833	0.9121	0.0485	0.6899	-29.1581	9.9286	78.9525
32	0.062	0.0716	-0.0381	0.1468	0.01	0.154	0.1262	0.0192	0.0306	-0.2005	-0.1178	-0.0304	-0.0222	0.0126	0	0.6141	0.2577	0.0091	0.9875	0.0557	0.6292	-6.2882	5.6858	74.7505
33	0.1967	0.0426	0.0472	0.1943	-0.0553	0.1661	0.0945	0.0429	-0.2131	-0.1137	-0.0253	-0.3813	0.3711	0.3474	0.1475	0.5383	0.7066	0.157	1.5417	0.2409	1.163	55.9365	-23.7597	82.2302

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 133 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 134 through 429 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 430 through 640 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 5 through 79 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 80 through 170 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 171 through 217 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 218 through 282 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 283 through 388 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 389 through 598 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 599 through 640 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 5 through 41 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 42 through 94 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 95 through 170 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 171 through 217 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 218 through 388 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 389 through 598 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 599 through 640 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 5 through 170 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 171 through 217 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 218 through 388 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 389 through 640 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 5 through 41 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 42 through 170 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 171 through 217 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 218 through 282 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 283 through 388 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 389 through 554 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 555 through 640 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 5 through 79 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 80 through 170 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 171 through 217 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 218 through 388 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 389 through 640 )

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