PDB-8fbd: Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1

ID or keywords:

Entry

Database: PDB / ID: 8fbd

Title

Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1

Components

Neurotoxin complex component Orf-X1
Neurotoxin complex component Orf-X3

Keywords

UNKNOWN FUNCTION / Botulinum neurotoxin

Function / homology

Clostridium P47 protein / Clostridium P-47-like / membrane / ACETATE ION / Neurotoxin complex component Orf-X3 / Neurotoxin complex component Orf-X1

Function and homology information

Biological species

Clostridium botulinum E1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.05 Å

Authors

Liu, S. / Gao, L.

Funding support

United States, 1items

Citation

Journal: Febs Lett. / Year: 2023
Title: Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Authors: Gao, L. / Lam, K.H. / Liu, S. / Przykopanski, A. / Lubke, J. / Qi, R. / Kruger, M. / Nowakowska, M.B. / Selby, K. / Douillard, F.P. / Dorner, M.B. / Perry, K. / Lindstrom, M. / Dorner, B.G. ...

History

Deposition	Nov 29, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 21, 2022	Provider: repository / Type: Initial release
Revision 1.1	Feb 8, 2023	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Mar 8, 2023	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	May 22, 2024	Group: Data collection / Category: chem_comp_atom / chem_comp_bond

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	8fbd_validation.pdf.gz	883.2 KB	Display	wwPDB validaton report
Full document	8fbd_full_validation.pdf.gz	899.6 KB	Display
Data in XML	8fbd_validation.xml.gz	50 KB	Display
Data in CIF	8fbd_validation.cif.gz	72.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fb/8fbd ftp://data.pdbj.org/pub/pdb/validation_reports/fb/8fbd	HTTPS FTP

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Related structure data

Related structure data	8fbeC 8fbfC C: citing same article (ref.)
Similar structure data	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: Neurotoxin complex component Orf-X1

B: Neurotoxin complex component Orf-X3

C: Neurotoxin complex component Orf-X1

D: Neurotoxin complex component Orf-X3

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	39.258, 174.033, 241.954
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Neurotoxin complex component Orf-X1 Mass: 16791.527 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridium botulinum E1 (bacteria) / Strain: 'BoNT E Beluga' / Production host: Escherichia coli (E. coli) / References: UniProt: A0A126JJ68
#2: Protein	Neurotoxin complex component Orf-X3 Mass: 54433.426 Da / Num. of mol.: 2 / Mutation: K244A, K245A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridium botulinum E1 (bacteria) / Strain: 'BoNT E Beluga' / Production host: Escherichia coli (E. coli) / References: UniProt: A0A126JID3
#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C₂H₃O₂ / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 572 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.92 Å³/Da / Density % sol: 57.86 %
Crystal grow	Temperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 13 % Polyethylene glycol (PEG) 3550, 0.3 M ammonium citrate dibasic and 0.1 M sodium acetate pH 4.5

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 7, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.05→49.67 Å / Num. obs: 104662 / % possible obs: 99.2 % / Redundancy: 4.7 % / CC_1/2: 0.994 / Net I/σ(I): 11.1
Reflection shell	Resolution: 2.05→2.09 Å / Num. unique obs: 4895 / CC_1/2: 0.545

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Processing

Software

Name	Version	Classification
PHENIX	1.15	refinement
XDS		data reduction
XDS		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.05→49.667 Å / SU ML: 0.27 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 21.9 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.219	5220	4.99 %
R_work	0.1799	-	-
obs	0.1818	104662	98.88 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.05→49.667 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9851	0	8	572	10431

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	10176
X-RAY DIFFRACTION	f_angle_d	1.073	13807
X-RAY DIFFRACTION	f_dihedral_angle_d	14.718	3728
X-RAY DIFFRACTION	f_chiral_restr	0.042	1567
X-RAY DIFFRACTION	f_plane_restr	0.004	1767

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 (%)
2.05-2.0733	0.3791	156	0.2818	3159	X-RAY DIFFRACTION	94
2.0733-2.0977	0.375	193	0.2664	3085	X-RAY DIFFRACTION	96
2.0977-2.1233	0.289	163	0.2513	3223	X-RAY DIFFRACTION	98
2.1233-2.1502	0.3183	154	0.2417	3331	X-RAY DIFFRACTION	100
2.1502-2.1785	0.2667	170	0.2277	3357	X-RAY DIFFRACTION	100
2.1785-2.2083	0.2759	167	0.2284	3250	X-RAY DIFFRACTION	100
2.2083-2.2399	0.2674	183	0.218	3246	X-RAY DIFFRACTION	100
2.2399-2.2733	0.2772	165	0.2155	3329	X-RAY DIFFRACTION	100
2.2733-2.3088	0.2607	202	0.2082	3353	X-RAY DIFFRACTION	100
2.3088-2.3467	0.2553	165	0.2095	3265	X-RAY DIFFRACTION	100
2.3467-2.3871	0.2468	191	0.1958	3270	X-RAY DIFFRACTION	100
2.3871-2.4305	0.2773	178	0.1979	3357	X-RAY DIFFRACTION	100
2.4305-2.4773	0.2404	181	0.1943	3319	X-RAY DIFFRACTION	100
2.4773-2.5279	0.2665	187	0.1987	3251	X-RAY DIFFRACTION	100
2.5279-2.5828	0.2921	165	0.2031	3370	X-RAY DIFFRACTION	100
2.5828-2.6429	0.2577	193	0.205	3306	X-RAY DIFFRACTION	100
2.6429-2.709	0.212	185	0.1924	3250	X-RAY DIFFRACTION	100
2.709-2.7822	0.2633	172	0.1892	3385	X-RAY DIFFRACTION	100
2.7822-2.8641	0.2629	185	0.1885	3278	X-RAY DIFFRACTION	100
2.8641-2.9565	0.2391	142	0.1899	3375	X-RAY DIFFRACTION	99
2.9565-3.0622	0.2483	171	0.1929	3350	X-RAY DIFFRACTION	99
3.0622-3.1848	0.2449	166	0.1878	3326	X-RAY DIFFRACTION	99
3.1848-3.3297	0.2341	177	0.183	3327	X-RAY DIFFRACTION	99
3.3297-3.5052	0.198	164	0.169	3351	X-RAY DIFFRACTION	99
3.5052-3.7247	0.1678	169	0.1657	3309	X-RAY DIFFRACTION	99
3.7247-4.0122	0.1951	178	0.1546	3372	X-RAY DIFFRACTION	99
4.0122-4.4157	0.1684	171	0.1456	3358	X-RAY DIFFRACTION	98
4.4157-5.0541	0.167	158	0.1357	3388	X-RAY DIFFRACTION	98
5.0541-6.3656	0.1728	192	0.1599	3416	X-RAY DIFFRACTION	98
6.3656-49.6	0.1789	177	0.1749	3486	X-RAY DIFFRACTION	94

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	7.5742	7.2366	-5.0717	7.8605	-7.6336	2.0802	-0.2453	-0.2894	-0.6463	0.2986	-0.1889	-0.4598	0.3229	0.174	0.5081	0.3704	-0.0334	0.0162	0.3859	-0.091	0.3922	-9.57	13.418	42.862
2	5.5542	-2.9497	-1.0447	9.2383	2.8126	5.2928	-0.2948	-0.4561	-0.6908	0.8021	0.2599	1.1289	1.111	-0.3224	0.0438	0.4446	-0.0644	0.0705	0.2808	0.0639	0.3379	-14.724	-6.758	42.181
3	4.5407	5.7463	-1.2122	8.3314	-3.8011	5.3385	0.2389	0.1551	0.3769	-0.0082	0.0923	0.4605	-0.273	-0.0999	-0.3256	0.2077	0.0312	0.0585	0.1972	-0.0395	0.3141	-10.672	18.989	34.528
4	1.1783	0.1693	1.033	2.0152	-4.147	6.6989	0.0769	0.1475	-0.2172	0.2033	0.2115	0.2067	0.5111	0.2514	-0.2816	0.3279	-0.0102	-0.0565	0.2869	-0.0631	0.2791	-11.858	-0.944	39.415
5	2.4283	0.0951	2.2421	7.5586	2.2101	3.7157	-0.0159	-1.2431	0.0935	2.6636	0.0232	-0.0324	0.2394	0.1164	-0.0257	1.1882	-0.0424	0.0364	0.5936	0.0053	0.4382	-7.878	-1.218	55.492
6	4.2907	0.4168	3.7368	7.3614	0.7499	8.5686	-0.343	-0.3328	0.4205	0.5391	-0.1507	-1.4906	-0.4909	1.5258	0.4481	0.5296	-0.0573	-0.0974	0.5737	0.1083	0.5094	0.482	8.291	45.593
7	5.9353	-0.6137	-1.5023	6.2644	-1.2665	2.8264	0.0861	0.5157	0.3362	-0.3203	0.0469	0.0282	0.1916	-0.3104	-0.1243	0.263	0.0477	-0.0012	0.2692	-0.0278	0.1891	-10.78	5.038	31.284
8	6.7406	2.4158	-2.5191	9.0422	-4.9609	8.5015	0.3707	-0.6183	0.1897	1.074	-0.1706	-0.2078	-0.6376	-0.1675	-0.1842	0.3879	0.0274	-0.0334	0.3185	-0.0795	0.2862	-7.699	3.497	45.977
9	1.3412	0.6567	-1.1411	2.3862	-1.9824	2.3252	-0.0695	0.2195	-0.0582	-0.4637	0.0396	-0.0445	0.6227	-0.0235	0.0287	0.5387	0.0561	-0.0127	0.3183	0.0137	0.2102	-3.178	-12.359	23.961
10	1.649	1.3357	-0.7413	3.3016	-2.0849	2.4334	-0.0153	0.0803	0.1827	-0.0012	0.1614	0.1491	0.355	0.0457	-0.0983	0.3879	0.1336	0.0509	0.3488	0.0523	0.2852	-1.76	-5.231	23.638
11	1.5749	0.6576	-0.2705	4.6432	-2.8737	3.0452	-0.155	-0.1131	0.1121	-0.629	0.0073	0.2328	0.241	0.0631	0.1105	0.6716	0.111	-0.0193	0.262	0.0103	0.2478	-8.838	-29.127	38.041
12	7.702	1.636	-4.2789	8.3411	-3.2738	7.3739	-0.5721	-0.0604	-0.0208	-0.498	0.4307	0.5421	-0.0966	-0.9651	0.1171	0.3474	0.0714	-0.121	0.421	-0.0236	0.265	-22.135	-48.023	50.513
13	3.0971	-1.3413	-0.9022	0.5975	0.5461	1.6684	0.2329	-0.2178	0.1019	0.7416	0.7276	-2.3117	0.5601	2.0719	-0.9473	0.6252	0.1434	-0.0981	0.9293	-0.3812	1.2683	-12.955	-29.422	55.095
14	0.7571	0.9427	-1.0634	2.8015	-2.2115	4.6185	-0.0131	0.1356	0.0515	-0.5456	-0.0626	0.0342	0.1156	-0.1039	0.0712	0.2601	0.0631	0.0249	0.2299	0.0135	0.2643	-12.563	-51.348	58.525
15	0.7784	0.9154	-1.0677	3.1269	-2.445	4.3084	-0.1587	0.1136	-0.073	-1.0592	-0.0552	-0.1332	0.5819	0.0171	0.2217	0.4863	0.0776	0.0593	0.2674	-0.0013	0.2952	-9.688	-51.223	48.033
16	7.3893	2.8952	-5.3862	1.1536	-2.2952	6.8706	0.0374	0.5624	-0.1424	-0.8266	-0.1418	-0.365	0.171	0.0017	0.1404	0.8012	0.1899	0.2117	0.388	0.0962	0.3258	0.628	-37.141	35.219
17	5.8224	-0.9698	-0.0605	7.02	0.2234	6.5995	-0.1712	1.0611	1.1413	-1.2458	-0.0905	0.7248	-0.9996	-1.1919	0.2618	1.1289	0.2769	-0.2712	0.9199	0.3058	0.8513	-32.117	17.104	93.677
18	7.0917	2.1207	-2.2555	6.7873	-3.6059	7.98	-0.3546	0.8778	0.0725	-1.2944	0.0728	-0.5854	0.1528	0.3245	0.2639	0.5319	0.0454	0.0499	0.5638	0.0187	0.2997	-18.569	-0.818	95.837
19	3.4142	1.0711	-1.0935	3.6577	0.7379	3.2594	0.132	1.0672	1.9983	-0.041	-0.4428	-0.0316	-1.3739	-0.7443	0.2631	1.1117	0.2738	-0.0029	0.7061	0.3136	1.0852	-30.908	22.833	100.201
20	3.9045	0.1853	1.8705	8.3613	1.9372	6.4706	-0.07	1.0119	0.5357	-1.137	0.1947	-0.0519	-0.2759	0.0533	-0.1128	0.4743	0.0813	0.0541	0.6095	0.1508	0.3033	-24.113	5.105	94.71
21	0.1439	-0.6221	0.985	2.705	-4.283	6.78	-0.1441	0.6079	0.1625	-0.8289	0.7552	0.8025	0.6231	-0.7026	-0.6173	1.0331	-0.0339	-0.1737	0.9306	0.247	0.7547	-30.853	7.401	80.27
22	6.1301	-2.0487	0.3908	0.8786	-0.7996	2.3466	0.0724	0.3784	0.9161	-0.7456	0.0491	0.5011	0.238	-1.2048	-0.1205	0.927	0.1643	-0.212	0.8784	0.1155	0.789	-40.563	8.777	93.782
23	3.6713	-0.3012	-0.4821	6.6339	0.6404	4.9835	-0.2535	0.409	0.4932	-0.909	-0.0212	-0.1697	-0.6527	0.2866	0.2402	0.3799	0.0241	-0.0693	0.42	0.0847	0.3187	-25.038	7.822	102.422
24	4.58	-0.8598	-0.4768	5.9989	1.1227	6.2563	-0.0358	0.6922	0.3443	-1.1037	-0.0477	0.3672	-0.4409	-0.6117	0.1044	0.5373	0.0351	-0.1488	0.4527	0.1454	0.4898	-29.002	9.945	98.038
25	4.1964	-2.0821	-2.6672	5.0793	1.4865	4.4577	-0.3685	0.0121	-0.2432	0.1615	0.0111	0.4518	0.2173	-0.2551	0.3828	0.1269	0.0071	-0.0249	0.2965	-0.0519	0.2397	-23.18	-19.802	111.906
26	3.4637	-2.2357	-1.5637	4.7215	0.7954	2.0972	-0.1188	-0.0935	0.3853	0.182	0.0896	0.2032	-0.3066	-0.1627	0.0304	0.2226	0.0169	-0.0446	0.3387	-0.0814	0.3287	-27.618	-0.076	117.715
27	6.5483	-0.4657	1.7311	6.7652	1.1269	3.3002	-0.0318	0.4014	0.6931	-0.5144	-0.37	1.3506	-0.8071	-0.9405	0.3479	0.7322	0.1979	-0.1718	0.767	0.0135	1.0044	-48.748	12.712	113.555
28	8.5005	-4.5487	1.1649	9.7161	-2.4567	6.0543	-0.0877	0.4308	0.6078	-0.3102	-0.0917	0.4791	-0.4457	-0.5104	0.0781	0.2108	0.0465	-0.0283	0.3213	-0.0238	0.3812	-32.659	8.595	116.171
29	2.0524	-0.7608	-0.9974	4.9322	2.4263	3.4991	-0.1434	0.3657	-0.0649	-0.3089	0.1134	-0.21	0.0817	0.0138	0.0286	0.1968	-0.0034	0.0087	0.2914	-0.0517	0.2249	-15.002	-19.166	109.457
30	2.3095	-0.6364	-2.2118	3.848	1.4258	4.1654	0.063	0.1254	0.1939	-0.0855	0.0416	-0.5581	-0.1767	0.166	-0.0838	0.1824	-0.0346	0.0232	0.3448	-0.1241	0.3555	-0.432	-35.054	96.235
31	3.9773	-1.0354	0.1972	2.4797	0.0525	0.0147	0.3012	0.4742	0.3034	-0.3285	0.3057	-0.0517	-0.3492	-0.2018	-0.6032	0.7868	0.2793	0.1755	1.1553	-0.1341	0.6579	-10.578	-22.697	87.671
32	0.8247	-1.7477	-1.544	2.705	3.0035	3.2859	-0.108	-0.051	0.0135	0.2472	-0.028	0.1135	0.2025	-0.155	0.1423	0.1755	-0.0241	0.065	0.2952	-0.0407	0.3496	-6.689	-44.51	94.446
33	7.2024	-1.255	-2.3212	5.3679	1.1643	8.8105	-0.4135	-1.5345	-0.132	1.8582	-0.1349	0.8692	0.9572	-0.1523	0.5378	0.6566	-0.0229	0.2728	0.6692	-0.162	0.5087	-25.707	-27.88	123.781

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 5:23 )	A	5 - 23
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 24:41 )	A	24 - 41
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 42:64 )	A	42 - 64
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 65:72 )	A	65 - 72
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 73:87 )	A	73 - 87
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 88:100 )	A	88 - 100
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 101:125 )	A	101 - 125
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 126:144 )	A	126 - 144
9	X-RAY DIFFRACTION	9	( CHAIN B AND RESID 1:132 )	B	1 - 132
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 133:193 )	B	133 - 193
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 194:258 )	B	194 - 258
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 259:284 )	B	259 - 284
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 285:291 )	B	285 - 291
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 292:382 )	B	292 - 382
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 383:468 )	B	383 - 468
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 469:487 )	B	469 - 487
17	X-RAY DIFFRACTION	17	( CHAIN C AND RESID 5:22 )	C	5 - 22
18	X-RAY DIFFRACTION	18	( CHAIN C AND RESID 23:38 )	C	23 - 38
19	X-RAY DIFFRACTION	19	( CHAIN C AND RESID 39:60 )	C	39 - 60
20	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 61:78 )	C	61 - 78
21	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 79:89 )	C	79 - 89
22	X-RAY DIFFRACTION	22	( CHAIN C AND RESID 90:98 )	C	90 - 98
23	X-RAY DIFFRACTION	23	( CHAIN C AND RESID 99:115 )	C	99 - 115
24	X-RAY DIFFRACTION	24	( CHAIN C AND RESID 116:144 )	C	116 - 144
25	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 1:30 )	D	1 - 30
26	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 31:143 )	D	31 - 143
27	X-RAY DIFFRACTION	27	( CHAIN D AND RESID 144:151 )	D	144 - 151
28	X-RAY DIFFRACTION	28	( CHAIN D AND RESID 152:171 )	D	152 - 171
29	X-RAY DIFFRACTION	29	( CHAIN D AND RESID 172:249 )	D	172 - 249
30	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 250:284 )	D	250 - 284
31	X-RAY DIFFRACTION	31	( CHAIN D AND RESID 285:291 )	D	285 - 291
32	X-RAY DIFFRACTION	32	( CHAIN D AND RESID 292:480 )	D	292 - 480
33	X-RAY DIFFRACTION	33	( CHAIN D AND RESID 481:487 )	D	481 - 487

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