PDB-3mvp: The Crystal Structure of a TetR/AcrR transcriptional regulator fr...

ID or keywords:

Entry

Database: PDB / ID: 3mvp

Title

The Crystal Structure of a TetR/AcrR transcriptional regulator from Streptococcus mutans to 1.85A

Components

TetR/AcrR transcriptional regulator

Keywords

transcription regulator / PSI / MCSG / Structural Genomics / Midwest Center for Structural Genomics / Protein Structure Initiative

Function / homology

Function and homology information

Biological species

Streptococcus mutans (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 1.85 Å

Authors

Stein, A.J. / Xu, X. / Cui, H. / Chin, S. / Savchenko, A. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: The Crystal Structure of a TetR/AcrR transcriptional regulator from Streptococcus mutans to 1.85A
Authors: Stein, A.J. / Xu, X. / Cui, H. / Chin, S. / Savchenko, A. / Joachimiak, A.

History

Deposition	May 4, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 12, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Nov 8, 2017	Group: Refinement description / Category: software

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3mvp.cif.gz	176 KB	Display	PDBx/mmCIF format
PDB format	pdb3mvp.ent.gz	150.7 KB	Display	PDB format
PDBx/mmJSON format	3mvp.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3mvp_validation.pdf.gz	434.3 KB	Display	wwPDB validaton report
Full document	3mvp_full_validation.pdf.gz	436.4 KB	Display
Data in XML	3mvp_validation.xml.gz	17.1 KB	Display
Data in CIF	3mvp_validation.cif.gz	24.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mv/3mvp ftp://data.pdbj.org/pub/pdb/validation_reports/mv/3mvp	HTTPS FTP

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Related structure data

Similar structure data	5anl-d 5l3s-3 3ihy-4 3jra-d 5osg-d 6ykg-d 4ph4-d 5e3m-d 3ls8-1 3ihy-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	TargetDB: APC41410.0

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: TetR/AcrR transcriptional regulator

B: TetR/AcrR transcriptional regulator

50.8 kDa, 2 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)	50.490, 80.197, 110.630
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	TetR/AcrR transcriptional regulator Mass: 25413.676 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus mutans (bacteria) / Strain: UA159 / Gene: SMU_134 / Plasmid: pET derivative / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q8DWD0
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 183 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

TetR/AcrR transcriptional regulator

Mass: 25413.676 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Streptococcus mutans (bacteria) / Strain: UA159 / Gene: SMU_134 / Plasmid: pET derivative / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q8DWD0

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 183 / 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: 2.21 Å³/Da / Density % sol: 44.5 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion / pH: 8 Details: 20% PEG 3350, 0.2M Sodium acetate, pH 8.0, vapor diffusion, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.9794 Å

Detector

Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 3, 2009

Radiation

Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection

Resolution: 1.85→50 Å / Num. obs: 39086 / % possible obs: 99.7 % / Redundancy: 6 % / R_merge(I) obs: 0.06 / Χ²: 1.847 / Net I/σ(I): 12.5

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	Χ²	% possible all
1.85-1.92	6.1	0.598	3868	0.96	100
1.92-1.99	6.1	0.377	3860	0.963	100
1.99-2.08	6.1	0.227	3842	0.989	100
2.08-2.19	6.1	0.152	3878	1.033	100
2.19-2.33	6.1	0.108	3857	1.157	100
2.33-2.51	6.1	0.086	3904	1.254	100
2.51-2.76	6.1	0.069	3910	1.628	100
2.76-3.16	6	0.065	3929	2.754	100
3.16-3.99	5.8	0.049	3966	3.452	100
3.99-50	5.6	0.043	4072	4.441	97.6

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC		refinement
PDB_EXTRACT	3.004	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
SHELX		phasing
MLPHARE		phasing
DM		phasing
ARP/wARP		model building
Coot		model building

Refinement

Resolution: 1.85→33.81 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.934 / SU B: 8.469 / SU ML: 0.115 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.147 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.259	1957	5 %	RANDOM
R_work	0.221	-	-	-
obs	0.223	39025	99.75 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 35.309 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.02 Å²	0 Å²	0 Å²
2-	-	0.02 Å²	0 Å²
3-	-	-	-0.04 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→33.81 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3153	0	0	183	3336

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	3268
X-RAY DIFFRACTION	r_angle_refined_deg	1.097	1.958	4453
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.141	5	414
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.764	25.302	149
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.955	15	569
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.715	15	8
X-RAY DIFFRACTION	r_chiral_restr	0.08	0.2	530
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	2430
X-RAY DIFFRACTION	r_mcbond_it	0.509	1.5	2018
X-RAY DIFFRACTION	r_mcangle_it	0.869	2	3252
X-RAY DIFFRACTION	r_scbond_it	1.599	3	1250
X-RAY DIFFRACTION	r_scangle_it	2.431	4.5	1192

LS refinement shell

Resolution: 1.85→1.898 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.322	140	-
R_work	0.282	2708	-
all	-	2848	-
obs	-	-	99.72 %

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	13.1229	4.3499	-5.2827	2.513	-4.6352	9.9382	-0.1583	0.8039	-0.1494	-0.1622	0.098	-0.07	0.5087	0.0712	0.0603	0.4934	0.0138	-0.1325	0.1961	-0.0091	0.2441	51.353	-2.6336	15.1878
2	8.4381	-1.8976	9.6929	7.7857	-1.1604	29.2496	0.1618	0.5508	0.1906	-0.1324	-0.3883	-0.0227	-0.0741	0.1078	0.2265	0.0888	-0.0041	-0.0054	0.296	0.0134	0.2982	38.9413	-2.1323	12.2062
3	7.0327	-2.8543	-1.3023	5.6143	0.4069	4.9148	-0.0743	-0.2498	-0.0107	0.0772	0.1191	-0.327	-0.0617	0.4059	-0.0448	0.0416	-0.0576	-0.0091	0.194	0.0146	0.166	29.4509	3.5649	12.1313
4	6.096	-0.9432	-2.4111	3.1183	-2.6582	9.6404	-0.0251	-0.0192	0.1673	0.0587	0.0871	0.2076	-0.6978	-0.503	-0.062	0.115	0.0179	0.0074	0.1476	0.0326	0.2022	17.8506	9.2607	8.49
5	19.7114	7.6473	1.3411	2.9727	0.4955	22.6968	0.1464	-0.4597	0.9019	0.0309	-0.138	0.3251	-0.9986	0.0197	-0.0084	0.1604	-0.102	0.1149	0.1688	-0.0971	0.2382	26.7257	9.7498	5.1872
6	2.8609	0.3265	-4.5056	6.464	-0.6486	7.548	-0.0578	0.1528	-0.2036	-0.3913	-0.0186	0.1021	0.0968	-0.1321	0.0765	0.1124	-0.0049	-0.0384	0.1443	-0.0096	0.1878	25.7445	0.1846	3.4522
7	3.0272	0.5891	-2.6163	0.1678	-1.3438	15.9174	-0.0714	-0.4067	-0.2742	-0.0112	-0.1002	-0.0685	0.1594	0.4118	0.1716	0.0657	-0.0313	-0.0405	0.19	0.053	0.2981	20.2762	-2.3524	20.2728
8	2.9867	1.238	-3.0024	0.7526	-1.7708	7.0221	0.0615	-0.1561	-0.0731	0.1958	-0.2535	-0.2344	-0.0225	0.6691	0.192	0.2482	-0.0955	-0.1387	0.2627	0.1012	0.3028	16.4799	-4.3788	39.8034
9	6.8206	1.6608	-4.4005	0.9769	-2.0989	4.6984	0.0117	-0.7898	0.3222	0.2634	-0.0509	-0.0497	-0.4053	0.2593	0.0392	0.4935	-0.0609	-0.1103	0.1892	-0.0124	0.2253	9.6782	1.5574	46.4644
10	4.3446	0.1856	-0.1879	1.7051	-4.0516	9.7975	0.1558	0.0025	0.11	0.028	-0.0507	-0.0305	-0.0843	0.2312	-0.1052	0.1935	-0.1252	-0.0753	0.1994	-0.0294	0.3101	16.0268	6.7315	33.3449
11	10.9192	9.7816	1.1562	16.539	4.0579	1.3118	0.1772	-0.0871	0.4296	0.1113	-0.0462	-0.0015	-0.0666	0.0494	-0.131	0.293	-0.1507	0.0614	0.1911	0.0251	0.172	15.1344	6.7752	19.644
12	14.6996	-1.6001	-0.4522	10.5202	1.5403	9.3765	0.1501	-0.08	0.1979	0.1963	0.0678	0.0228	-0.6582	0.2715	-0.2179	0.0935	0.0313	-0.0161	0.1193	0.0041	0.1294	7.4864	3.8666	16.287
13	3.5725	1.2966	1.8701	6.5761	-1.0691	20.6953	0.0334	0.0696	-0.2335	-0.0544	-0.1095	-0.0748	-0.069	-0.0053	0.0761	0.0023	0.0012	-0.0021	0.0527	0.0142	0.1807	9.846	-3.538	16.5203
14	6.0928	0.9369	-7.4939	0.1609	-1.6615	24.6858	-0.0434	0.1236	-0.4929	-0.0137	0.0126	-0.0572	0.2214	-0.0064	0.0308	0.0569	-0.0184	-0.0308	0.0714	0.0473	0.1992	9.0406	-5.3679	28.7732
15	5.3416	3.0651	-1.4006	3.9743	-4.5242	10.0869	0.0198	-0.175	-0.1328	0.3223	-0.2113	-0.3938	0.0129	0.5099	0.1915	0.1683	0.0017	-0.0656	0.0875	0.004	0.1628	7.0916	-9.3551	41.3264
16	2.8309	10.8378	7.7032	42.4531	29.4549	20.963	-0.0721	-0.0929	0.0443	0.227	-0.0408	0.4204	-0.2219	-0.2559	0.1129	0.43	0.055	0.0376	0.238	0.0691	0.2045	3.9318	-12.4175	48.5716
17	1.1883	0.066	0.6813	10.8008	-2.9914	1.8792	-0.0475	0.0973	-0.1043	0.0614	0.0276	-0.0265	-0.1012	-0.0597	0.0199	0.0823	0.0025	-0.0079	0.1005	-0.0044	0.1006	0.8046	-3.6231	36.3596
18	17.5347	1.968	9.2584	5.6378	-4.8165	11.2205	-0.6656	0.9158	0.5999	-0.1081	-0.1705	-0.4285	-0.324	0.7873	0.8361	0.2511	-0.1018	-0.0772	0.1834	0.0778	0.3224	8.4853	11.8616	31.3174
19	4.5825	-1.2923	-1.5821	11.1364	8.8873	13.3712	0.0517	0.3771	0.1296	-0.825	-0.0801	-0.3243	-0.5331	0.1814	0.0284	0.3157	-0.0805	-0.0429	0.3347	0.1167	0.3709	9.3171	18.6236	31.4907
20	1.7153	1.3069	-0.9646	5.6699	-2.6108	2.2662	0.0474	-0.1464	0.1766	0.3317	-0.1728	-0.133	-0.1802	0.2156	0.1254	0.2731	-0.0267	-0.0373	0.162	-0.0199	0.1287	2.2026	7.7881	43.8612
21	28.302	-14.1195	18.3794	7.0499	-9.1713	11.9371	-0.0698	-1.9073	-1.5487	0.0274	1.0466	0.7996	-0.0726	-1.268	-0.9767	0.4337	0.1206	-0.33	1.2447	-0.0461	0.5987	-13.7181	16.4403	-3.4847
22	8.7552	-6.1216	7.0318	15.6802	-7.2375	6.1257	-0.0845	-0.326	-0.2201	-0.2041	0.367	0.8625	-0.0019	-0.3415	-0.2825	0.1782	-0.1166	0.0466	0.5521	-0.2913	0.2647	-9.5092	9.581	-0.7158
23	10.2707	-1.0322	-0.4397	9.229	3.3121	8.2656	0.0371	0.1457	-0.8148	0.2428	-0.056	0.095	0.7448	-0.1473	0.0189	0.172	0.0236	-0.0199	0.1886	-0.0071	0.1342	0.1576	5.3858	4.218
24	14.2667	7.3749	-5.2986	7.2579	-0.9096	10.7085	0.0546	0.5745	-0.6217	-0.503	-0.0002	-0.3356	0.6339	-0.0602	-0.0544	0.2096	0.0541	0.0042	0.2641	-0.0729	0.147	-0.1443	7.5843	-5.7982
25	9.9128	5.0832	-6.2236	14.8755	-0.613	9.2551	0.3499	0.5807	0.0235	-0.6971	-0.57	0.0856	-0.5465	-0.363	0.2201	0.3025	0.0365	-0.0679	0.4247	0.0057	0.1608	-4.3563	12.0117	-9.3225
26	9.9663	-7.9553	1.4759	6.4113	-2.0759	13.7271	0.8138	0.7863	0.1949	-0.611	-0.5893	-0.1306	-0.5246	-0.0988	-0.2245	0.4276	-0.0354	-0.0591	0.3223	0.0441	0.2112	-2.0344	17.3099	-3.0107
27	5.525	-1.2431	-3.0692	4.6984	3.83	9.6971	0.0126	0.3541	0.0612	-0.2297	0.0087	0.1717	-0.2552	-0.6047	-0.0212	0.113	0.0409	-0.033	0.1212	-0.0179	0.1071	-5.761	16.9321	7.7885
28	14.4316	-1.7642	-3.2124	8.4647	-6.0188	20.0316	-0.6128	0.2369	0.3214	-1.1205	0.0955	0.4324	-0.2669	-1.5242	0.5173	0.342	0.0976	-0.1155	0.2657	-0.0437	0.273	-13.1427	17.9536	16.471
29	5.7068	-1.304	-8.149	1.1135	0.338	23.433	-0.1621	0.1428	-0.2202	-0.0197	-0.3123	0.3689	-0.1067	-0.2931	0.4743	0.2768	0.0374	0.0221	0.3448	-0.0037	0.3525	-17.3613	18.2473	26.6062
30	11.7697	-3.5174	0.1828	17.5767	-3.1496	12.7458	-0.0458	0.0055	-0.0971	0.1191	-0.0834	0.4558	-0.1248	-1.0126	0.1292	0.1997	-0.0284	0.0674	0.2811	-0.0382	0.2562	-18.8829	15.4048	38.3789
31	5.6967	1.0933	-1.7825	1.9033	5.2802	19.3561	0.0837	-0.2147	-0.0868	0.1888	-0.0915	0.0456	0.48	-0.1082	0.0078	0.1624	0.0082	0.0855	0.1976	0.0331	0.3887	-15.2868	7.942	33.0992
32	3.469	0.5069	-3.1935	0.673	1.7184	16.2197	-0.0844	0.5068	0.1433	-0.192	-0.0557	0.2856	-0.3795	-0.6152	0.14	0.1815	0.033	-0.0317	0.307	0.0172	0.3162	-12.4865	6.4676	19.8718
33	13.382	3.7544	1.6231	8.5983	0.2843	4.2771	-0.1697	0.1933	-0.1639	0.1576	0.0419	0.0584	0.5019	-0.0981	0.1278	0.1328	0.0074	-0.0146	0.0875	0.0132	0.0906	-1.4015	7.9281	13.4889
34	9.8889	-3.8456	-4.3702	4.5652	2.8825	6.5471	0.0691	0.0885	-0.0536	0.2946	-0.004	-0.5009	-0.1656	0.3396	-0.0651	0.0969	0.0077	-0.0405	0.0713	-0.0216	0.1669	3.512	16.0952	15.1974
35	6.076	1.4259	-5.7334	8.0723	-2.9983	18.9834	0.072	-0.0751	0.1615	0.1085	-0.1346	-0.2516	-0.2058	0.3436	0.0627	0.1134	0.0298	-0.027	0.0656	-0.0242	0.1281	-3.8191	18.3888	23.8697
36	5.2127	-1.6729	-4.4013	4.3561	3.0493	7.9545	0.041	-0.163	0.1543	0.3597	-0.0855	0.482	-0.056	-0.2547	0.0445	0.2077	-0.0023	0.0314	0.1433	-0.0036	0.2274	-11.3599	21.5198	37.9691
37	0.3654	-0.0146	1.005	4.1585	0.933	3.026	-0.0449	0.0313	-0.0555	0.5289	0.279	-0.0196	0.0412	0.2176	-0.2341	0.2715	0.0201	-0.012	0.2297	-0.0508	0.3081	-4.7464	23.695	41.5763
38	3	1.5676	0.9822	10.3001	6.1722	5.5744	-0.0636	0.1468	0.096	-0.1486	0.0592	-0.0707	-0.2667	0.12	0.0044	0.1113	-0.0012	-0.0056	0.0742	0.042	0.1007	-3.5913	7.7679	30.3673
39	4.4877	0.3181	-1.457	8.7302	-2.9747	8.5322	-0.017	0.123	-0.6287	-0.0723	0.0937	-0.0106	0.8164	-0.3549	-0.0767	0.1882	-0.074	-0.0216	0.214	-0.034	0.2439	-7.9605	-8.3738	28.4225
40	1.3286	-0.5613	-0.184	7.3891	4.9102	5.0101	0.0478	-0.1085	0.0538	0.458	-0.172	0.3045	-0.1219	-0.2789	0.1242	0.1974	-0.0136	0.0476	0.1693	0.0281	0.1568	-8.9154	5.0111	40.3375

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	14 - 19
2	X-RAY DIFFRACTION	2	A	20 - 25
3	X-RAY DIFFRACTION	3	A	26 - 36
4	X-RAY DIFFRACTION	4	A	37 - 50
5	X-RAY DIFFRACTION	5	A	51 - 56
6	X-RAY DIFFRACTION	6	A	57 - 73
7	X-RAY DIFFRACTION	7	A	74 - 85
8	X-RAY DIFFRACTION	8	A	86 - 102
9	X-RAY DIFFRACTION	9	A	103 - 113
10	X-RAY DIFFRACTION	10	A	114 - 123
11	X-RAY DIFFRACTION	11	A	124 - 129
12	X-RAY DIFFRACTION	12	A	130 - 134
13	X-RAY DIFFRACTION	13	A	135 - 143
14	X-RAY DIFFRACTION	14	A	144 - 151
15	X-RAY DIFFRACTION	15	A	152 - 160
16	X-RAY DIFFRACTION	16	A	161 - 165
17	X-RAY DIFFRACTION	17	A	166 - 184
18	X-RAY DIFFRACTION	18	A	185 - 189
19	X-RAY DIFFRACTION	19	A	190 - 196
20	X-RAY DIFFRACTION	20	A	197 - 217
21	X-RAY DIFFRACTION	21	B	24 - 29
22	X-RAY DIFFRACTION	22	B	30 - 35
23	X-RAY DIFFRACTION	23	B	36 - 47
24	X-RAY DIFFRACTION	24	B	48 - 54
25	X-RAY DIFFRACTION	25	B	55 - 64
26	X-RAY DIFFRACTION	26	B	65 - 71
27	X-RAY DIFFRACTION	27	B	72 - 82
28	X-RAY DIFFRACTION	28	B	83 - 87
29	X-RAY DIFFRACTION	29	B	88 - 98
30	X-RAY DIFFRACTION	30	B	99 - 106
31	X-RAY DIFFRACTION	31	B	107 - 115
32	X-RAY DIFFRACTION	32	B	116 - 123
33	X-RAY DIFFRACTION	33	B	124 - 132
34	X-RAY DIFFRACTION	34	B	133 - 143
35	X-RAY DIFFRACTION	35	B	144 - 150
36	X-RAY DIFFRACTION	36	B	151 - 164
37	X-RAY DIFFRACTION	37	B	165 - 171
38	X-RAY DIFFRACTION	38	B	172 - 190
39	X-RAY DIFFRACTION	39	B	191 - 199
40	X-RAY DIFFRACTION	40	B	200 - 217

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