PDB-6lyh: Crystal structure of tea N9-methyltransferase CkTcS in complex wi...

ID or keywords:

Entry

Database: PDB / ID: 6lyh

Title

Crystal structure of tea N9-methyltransferase CkTcS in complex with SAH and 1,3,7-trimethyluric acid

Components

N-methyltransferase CkTcS

Keywords

TRANSFERASE / N-methyltransferase / CkTcS

Function / homology

Function and homology information

caffeine synthase / caffeine synthase activity / alkaloid metabolic process / methylation / metal ion binding
Similarity search - Function

Biological species

Camellia sinensis var. assamica (Assam tea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.15000316024 Å

Authors

Wang, Y. / Zhang, Z.-M.

Citation

Journal: Nat Commun / Year: 2020
Title: Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Authors: Zhang, Y.H. / Li, Y.F. / Wang, Y. / Tan, L. / Cao, Z.Q. / Xie, C. / Xie, G. / Gong, H.B. / Sun, W.Y. / Ouyang, S.H. / Duan, W.J. / Lu, X. / Ding, K. / Kurihara, H. / Hu, D. / Zhang, Z.M. / Abe, I. / He, R.R.

History

Deposition	Feb 14, 2020	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 4, 2020	Provider: repository / Type: Initial release
Revision 1.1	Apr 1, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _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 / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2	Nov 29, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	6lyh_validation.pdf.gz	2.4 MB	Display	wwPDB validaton report
Full document	6lyh_full_validation.pdf.gz	2.4 MB	Display
Data in XML	6lyh_validation.xml.gz	102.2 KB	Display
Data in CIF	6lyh_validation.cif.gz	131.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ly/6lyh ftp://data.pdbj.org/pub/pdb/validation_reports/ly/6lyh	HTTPS FTP

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Related structure data

Related structure data	6lyiC 2efjS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6lv0-d 5z94-d 1i2q-d 6egd-d 1m6e-1 2zj6-d 4s2b-d 6sul-2 6sul-1 2qua-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) 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

6lyiC

2efjS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

B: N-methyltransferase CkTcS

A: N-methyltransferase CkTcS

C: N-methyltransferase CkTcS

D: N-methyltransferase CkTcS

E: N-methyltransferase CkTcS

F: N-methyltransferase CkTcS

G: N-methyltransferase CkTcS

H: N-methyltransferase CkTcS

hetero molecules

332 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

B: N-methyltransferase CkTcS

hetero molecules

C: N-methyltransferase CkTcS

hetero molecules

defined by author&software
Evidence: gel filtration
82.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: N-methyltransferase CkTcS

D: N-methyltransferase CkTcS

hetero molecules

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

3

E: N-methyltransferase CkTcS

hetero molecules

G: N-methyltransferase CkTcS

hetero molecules

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

4

F: N-methyltransferase CkTcS

hetero molecules

H: N-methyltransferase CkTcS

hetero molecules

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

Unit cell

Length a, b, c (Å)	87.744, 86.812, 123.258
Angle α, β, γ (deg.)	90.211, 90.039, 90.172
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

#1: Protein	N-methyltransferase CkTcS Mass: 40849.703 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Camellia sinensis var. assamica (Assam tea) Production host: Escherichia coli (E. coli) / References: UniProt: Q9FZN8*PLUS
#2: Chemical	ChemComp-SAH / S-ADENOSYL-L-HOMOCYSTEINE Type: L-peptide linking / Mass: 384.411 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₄H₂₀N₆O₅S / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-EXU / 1,3,7-trimethyl-9H-purine-2,6,8-trione Mass: 210.190 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₈H₁₀N₄O₃
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: 2.93 Å³/Da / Density % sol: 57.97 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0.1 M HEPES (pH 7.5), 1 M Sodium Citrate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 1, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.14→50 Å / Num. obs: 62167 / % possible obs: 96.4 % / Redundancy: 2.5 % / B_iso Wilson estimate: 62.383110248 Å² / CC_1/2: 0.995 / Net I/σ(I): 9.7
Reflection shell	Resolution: 3.15→3.2 Å / R_merge(I) obs: 1.11 / Num. unique obs: 55414 / CC_1/2: 0.845

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692+SVN	refinement
PHENIX	1.9_1692+SVN	refinement
HKL-2000		data scaling
PHENIX		phasing
Coot		model building
HKL-2000		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2EFJ

2efj

Resolution: 3.15000316024→43.8717918208 Å / SU ML: 0.464226211064 / Cross valid method: THROUGHOUT / σ(F): 1.96340305611 / Phase error: 34.9015671293

	R_factor	Num. reflection	% reflection
R_free	0.29805388409	2254	3.62571782457 %
R_work	0.262661324434	-	-
obs	0.263952027126	62167	99.8 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.15000316024→43.8717918208 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	20792	0	0	0	20792

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00373389999454	21222
X-RAY DIFFRACTION	f_angle_d	0.830450179397	28955
X-RAY DIFFRACTION	f_chiral_restr	0.0296365552682	3425
X-RAY DIFFRACTION	f_plane_restr	0.00379874033725	3693
X-RAY DIFFRACTION	f_dihedral_angle_d	15.7725512309	7073

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 (%)
3.15001-3.2185	0.434939878595	81	0.339473776456	2267	X-RAY DIFFRACTION	29.8499872871
3.2185-3.2933	0.378919087478	74	0.312939609397	2524	X-RAY DIFFRACTION	33.1800766284
3.2933-3.3756	0.332452976916	92	0.307948391104	2786	X-RAY DIFFRACTION	36.6064614602
3.3756-3.4669	0.342708364962	118	0.29099350024	2983	X-RAY DIFFRACTION	39.8483680288
3.4669-3.5689	0.363603880443	131	0.300393037371	3334	X-RAY DIFFRACTION	43.9386254121
3.5689-3.684	0.324848031304	144	0.286043939174	3618	X-RAY DIFFRACTION	47.6202531646
3.684-3.8156	0.280409512102	128	0.27679027027	3613	X-RAY DIFFRACTION	47.8266428024
3.8156-3.9683	0.309552656675	136	0.267494148569	3682	X-RAY DIFFRACTION	47.6416271525
3.9683-4.1487	0.256672639711	136		3488	X-RAY DIFFRACTION	46.6409266409
4.1487-4.3673	0.280849295321	128	0.245459661122	3535	X-RAY DIFFRACTION	46.3436234818
4.3673-4.6406	0.286013029676	144	0.238715550307	3501	X-RAY DIFFRACTION	46.8268242549
4.6406-4.9985	0.305211978584	157	0.232644301263	3837	X-RAY DIFFRACTION	50.6082108464
4.9985-5.5006	0.277084849056	163	0.250429732569	4480	X-RAY DIFFRACTION	59.011184545
5.5006-6.2946	0.324048842432	220	0.257886827112	5253	X-RAY DIFFRACTION	69.3135764944
6.2946-7.9229	0.272817415612	240	0.268682208958	5970	X-RAY DIFFRACTION	79.0478615071
7.9229-43.8	0.27847137089	162	0.24655183675	5042	X-RAY DIFFRACTION	66.4623243934

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	1.9429	-0.6121	-1.3355	2.991	-1.9776	2.966	0.008	-0.202	0.0372	0.1966	-0.2579	-0.1479	-0.1201	0.1017	0.0855	1.1626	0.1374	0.1255	1.2676	-0.0296	0.6972	15.147	-17.8123	-58.2511
2	4.4868	-0.6068	1.5029	3.4825	-0.8268	4.7697	0.0157	-0.8824	0.3631	0.268	0.8448	-0.1678	0.3685	0.1663	-0.4138	1.0664	0.3429	0.0079	1.0973	-0.1646	0.8127	8.8316	-24.3848	-50.2421
3	1.6681	1.1887	-0.3454	3.319	-1.1036	1.1693	-0.0461	-0.3826	0.2262	0.2348	0.0618	-0.059	0.2625	0.3464	-0.0932	0.857	0.1201	-0.0233	0.9547	-0.0661	0.791	11.9989	-5.2829	-54.2246
4	3.2835	0.2391	0.3533	3.2461	-0.9606	2.345	-0.0555	0.823	0.1947	-0.5954	-0.3362	-0.4842	0.9366	0.5269	-0.0344	0.9672	0.2281	0.0704	1.1706	-0.0788	0.6768	19.739	-4.9104	-66.5841
5	0.8881	0.9884	-0.175	5.122	0.6815	0.2341	-0.5308	0.0392	-0.2982	-1.3258	0.0814	-0.4881	0.0296	0.4677	-0.3917	1.0338	0.0972	0.0143	1.447	0.1324	0.4412	75.2966	-26.2412	-69.0976
6	3.7469	-0.6668	0.0956	4.7082	0.6354	2.7363	-1.0595	-0.6101	0.2952	0.0998	0.6267	-0.22	0.4919	-0.0085	-0.5092	0.7783	0.202	0.1361	1.6073	0.2643	0.2255	63.6579	-20.6803	-49.6341
7	4.7329	-1.3534	-1.5613	3.3512	1.6199	1.1799	0.4053	-0.3776	0.1071	-0.3062	0.8366	-0.1783	0.0849	0.3588	0.1475	1.087	0.1509	-0.1016	1.3206	-0.2381	0.089	75.6226	-20.5079	-46.7382
8	1.9936	0.3547	0.3168	1.7986	-0.848	0.5599	0.1788	-0.619	0.2218	-0.3639	0.5104	0.7938	0.3067	-0.1735	-0.1046	1.0404	-0.1705	0.1545	1.14	-0.2686	1.0669	69.5222	-12.8296	-47.4135
9	1.6667	1.34	0.2252	3.4107	1.5174	0.5569	-0.153	-0.1976	-0.3558	-0.2021	0.1546	-0.4049	0.0433	-0.087	-0.1328	0.9471	0.1169	0.0083	0.9498	0.1061	0.5734	74.1431	-34.1149	-55.2406
10	2.9604	0.9022	1.2559	3.0789	0.2176	0.5666	-0.8819	-0.2277	-0.335	-0.1551	0.4715	-0.094	-0.1302	1.1206	-0.1505	1.1523	0.0483	-0.0262	1.1776	-0.066	0.6392	66.0861	-42.5034	-71.9828
11	3.1655	-0.3741	2.069	3.4756	-0.046	3.8059	-0.5094	-0.2784	-0.1017	0.0013	0.4081	0.2519	-0.2174	-0.5186	0.1537	1.1081	0.0014	0.0093	1.1516	0.0426	0.5963	60.741	-33.9385	-53.0653
12	2.2043	0.911	0.5813	2.5398	1.4391	0.741	-0.5157	0.7616	0.1599	-0.9043	0.3761	0.0046	0.1402	0.3955	0.0532	1.2012	-0.0679	0.004	1.037	0.1087	0.4697	64.8878	-32.5536	-71.3482
13	2.3639	-0.5342	1.2471	2.5507	1.8363	3.6751	-0.3015	-0.215	0.4063	-0.1921	-0.1218	0.3587	-0.3556	-0.1954	0.2967	0.2714	0.0199	-0.0549	0.2377	0.0461	0.6222	10.0703	-56.1273	-119.563
14	3.8691	-0.45	-1.1678	2.8969	0.6475	3.2059	0.0339	-0.5668	-0.1284	0.2778	0.2097	0.2002	-0.3255	0.0945	-0.1327	0.1917	0.1294	0.0306	0.1992	0.0405	0.5395	17.7671	-48.7388	-112.3893
15	1.8378	0.2786	0.1222	2.8325	0.4887	2.6341	0.0197	0.0476	-0.4142	-0.0592	0.2038	0.4301	0.1905	-0.54	-0.1538	0.134	-0.0411	-0.0197	0.3168	0.1325	0.5327	8.7202	-70.2679	-123.6239
16	2.3364	0.8103	-0.6945	3.0618	1.2225	2.8717	0.0651	0.1595	0.0644	-0.1151	-0.1857	0.615	-0.0919	-0.2819	-0.0048	0.2935	-0.0213	0.0978	0.1626	0.1005	0.814	53.6162	-7.2903	-128.3184
17	3.3928	0.7174	0.1644	4.0338	0.6972	2.9037	0.2876	0.456	-0.0067	-0.5869	0.088	0.4924	-0.1562	-0.5794	-0.0075	0.137	-0.1727	-0.0381	-0.0067	0.0565	0.6522	60.7704	-13.4008	-136.4311
18	2.5381	-0.8205	-0.3274	2.3177	0.8082	1.3284	-0.0525	0.0866	0.5347	-0.1224	0.1757	0.4552	-0.1281	-0.3358	-0.0651	0.2568	-0.0153	-0.0522	0.2382	0.1332	0.6756	56.0263	6.1161	-128.9914
19	1.4758	-0.4074	-0.3659	2.2728	-0.1311	5.7312	-0.1899	0.4347	-0.1928	0.355	0.5684	0.0024	-0.3399	-0.2802	0.4338	0.1983	0.0954	0.1511	-0.0824	0.0465	0.9633	54.6145	13.7019	-117.3125
20	2.3117	-0.2685	-1.0123	2.4302	-0.3013	4.2804	-0.1695	0.3243	0.1269	-0.3187	0.0581	0.3703	-0.2022	-0.9082	-0.0523	0.3385	-0.0353	-0.1737	0.5817	0.1768	0.716	45.9544	3.3354	-134.125
21	6.7394	1.257	1.0779	3.1204	0.9816	2.5297	-0.3973	-0.6772	0.2996	0.7748	0.2813	0.9073	-0.0015	-0.0424	-0.1254	0.2019	-0.0009	0.1366	0.2131	-0.0169	0.6611	52.5565	0.495	-111.9553
22	2.7336	-0.333	-0.5077	2.1015	1.0369	3.5991	-0.2076	-0.4954	0.1366	0.1609	0.0127	0.4187	-0.0795	-0.2746	0.0135	0.2728	0.0397	-0.0087	0.2282	0.042	0.5837	48.9668	2.8739	-117.9752
23	4.6698	2.2139	0.7991	7.7486	-0.0428	0.7355	-0.2357	-1.572	0.5293	1.2002	-0.1724	-0.3318	0.3866	-0.7437	0.1493	1.1746	0.1154	-0.1763	1.463	-0.0174	0.5869	52.8909	17.2105	-56.0954
24	7.1381	-0.3141	-0.1741	7.1283	-0.8234	0.9279	-1.1795	-0.1277	0.2639	-1.6794	-0.4748	-0.0843	-0.0189	0.4487	0.1912	1.6038	-0.0142	0.2406	0.6558	-0.2249	1.1998	64.1755	22.7172	-76.4094
25	6.6453	2.3322	-2.6434	6.7781	-2.4921	5.887	0.2472	-0.5239	0.3022	-0.6106	-0.5633	-0.5323	-0.0343	1.6256	0.0053	1.0147	0.2084	0.0925	0.9784	-0.0678	0.7583	55.5205	26.7301	-77.445
26	5.3458	1.1735	-1.8635	4.6412	-2.2754	5.8107	0.0066	-0.2529	-0.0019	-0.0808	0.3459	0.4616	0.2955	0.6604	-0.2191	0.8907	0.061	-0.0697	0.8961	-0.0705	0.5989	47.9078	26.7838	-71.2151
27	3.0806	-0.2215	-0.0225	2.7385	-0.6724	1.3536	-0.4165	0.4505	-0.3321	-0.2008	0.5271	-0.529	-0.1959	-0.1733	-0.1967	1.0675	0.1748	-0.0063	0.7629	-0.1249	0.938	54.5201	3.044	-67.0649
28	2.9556	0.4966	0.3944	3.6847	-1.8461	2.2301	-0.1095	0.272	-0.9459	-0.1686	-0.1721	-0.3154	0.1269	-0.5245	-0.1085	1.0618	0.3505	0.0365	1.2022	-0.0515	0.887	60.2556	4.4201	-70.0753
29	2.6753	-0.5171	-3.7581	2.8523	0.78	5.2682	-0.2199	-1.6635	-1.1662	1.5022	0.0664	-0.3205	-0.3282	-0.5844	-0.1987	1.0629	0.199	-0.2564	1.3163	0.2153	0.5869	59.2731	-2.1113	-43.5997
30	3.5419	-0.2559	0.5049	3.2794	-0.5874	1.6965	-0.1492	0.213	-0.0066	0.2595	0.3936	-0.8202	-0.0039	-0.0002	-0.0266	1.0435	0.2455	0.0192	0.8097	-0.1329	1.1065	63.7457	9.315	-63.251
31	2.8537	-0.8219	0.4858	2.4722	-0.5748	8.7276	-0.1087	-0.1594	0.3185	0.6773	-0.0074	0.0704	-0.2517	0.6484	-0.5238	1.4708	0.3679	-0.0254	1.102	0.0135	0.3541	65.3143	10.1259	-55.9117

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'B' and (resid 9 through 51 )	B	9 - 51
2	X-RAY DIFFRACTION	2	chain 'B' and (resid 52 through 119 )	B	52 - 119
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 120 through 235 )	B	120 - 235
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 236 through 369 )	B	236 - 369
5	X-RAY DIFFRACTION	5	chain 'C' and (resid 9 through 28 )	C	9 - 28
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 29 through 51 )	C	29 - 51
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 52 through 71 )	C	52 - 71
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 72 through 91 )	C	72 - 91
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 92 through 235 )	C	92 - 235
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 236 through 275 )	C	236 - 275
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 276 through 307 )	C	276 - 307
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 308 through 369 )	C	308 - 369
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 9 through 52 )	D	9 - 52
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 53 through 137 )	D	53 - 137
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 138 through 369 )	D	138 - 369
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 9 through 51 )	E	9 - 51
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 52 through 117 )	E	52 - 117
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 118 through 255 )	E	118 - 255
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 256 through 275 )	E	256 - 275
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 276 through 307 )	E	276 - 307
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 308 through 331 )	E	308 - 331
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 332 through 369 )	E	332 - 369
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 9 through 28 )	F	9 - 28
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 29 through 52 )	F	29 - 52
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 53 through 90 )	F	53 - 90
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 91 through 137 )	F	91 - 137
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 138 through 192 )	F	138 - 192
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 193 through 245 )	F	193 - 245
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 246 through 264 )	F	246 - 264
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 265 through 331 )	F	265 - 331
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 332 through 369 )	F	332 - 369

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