PDB-3c7j: Crystal structure of transcriptional regulator (GntR family membe...

ID or keywords:

Entry

Database: PDB / ID: 3c7j

Title

Crystal structure of transcriptional regulator (GntR family member) from Pseudomonas syringae pv. tomato str. DC3000

Components

Transcriptional regulator, GntR family

Keywords

TRANSCRIPTION REGULATOR / transcriptional regulator / GntR family / structural genomics / MCSG / PSI-2 / Protein Structure Initiative / Midwest Center for Structural Genomics / DNA-binding / Transcription regulation

Function / homology

Function and homology information

DNA-binding transcription factor activity / DNA binding
Similarity search - Function

Biological species

Pseudomonas syringae pv. tomato (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.1 Å

Authors

Nocek, B. / Sather, A. / Gu, M. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: Structure of transcriptional regulator (GntR family member) from Pseudomonas syringae pv. tomato str. DC3000.
Authors: Nocek, B. / Sather, A. / Gu, M. / Joachimiak, A.

History

Deposition	Feb 7, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 26, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Source and taxonomy / Version format compliance
Revision 1.2	Oct 30, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ref_seq_dif / struct_site 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 / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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 / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id / _struct_ref_seq_dif.details / _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	3c7j.cif.gz	116 KB	Display	PDBx/mmCIF format
PDB format	pdb3c7j.ent.gz	91.7 KB	Display	PDB format
PDBx/mmJSON format	3c7j.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c7/3c7j ftp://data.pdbj.org/pub/pdb/validation_reports/c7/3c7j	HTTPS FTP

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Related structure data

Similar structure data	6lqg-d 6idf-d 7kao-d 7d8x-d 5fn4-d 5lr8-1 7c9i-d 5lr8-2 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
Other databases	TargetDB: APC88642

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Transcriptional regulator, GntR family

B: Transcriptional regulator, GntR family

hetero molecules

53.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Transcriptional regulator, GntR family

B: Transcriptional regulator, GntR family

hetero molecules

A: Transcriptional regulator, GntR family

B: Transcriptional regulator, GntR family

hetero molecules

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

Unit cell

Length a, b, c (Å)	55.954, 132.768, 170.461
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁

Details

AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.

#1: Protein	Transcriptional regulator, GntR family Mass: 26792.736 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas syringae pv. tomato (bacteria) Species: Pseudomonas syringae group genomosp. 3 / Strain: DC3000 / Gene: PSPTO5454 / Plasmid: pMCSG7 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q87U60, UniProt: Q19AK4*PLUS
#2: Chemical	ChemComp-NI / NICKEL (II) ION Mass: 58.693 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ni
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 354 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	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: 2.95 Å³/Da / Density % sol: 58.36 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 10% Propanol, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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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: Sep 24, 2007 / Details: Mirrors
Radiation	Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9794 Å / Relative weight: 1
Reflection	Resolution: 2.1→45 Å / Num. all: 37685 / Num. obs: 37612 / % possible obs: 98.1 % / Observed criterion σ(I): 2 / Redundancy: 6 % / R_merge(I) obs: 0.08 / Net I/σ(I): 30.1
Reflection shell	Resolution: 2.1→2.14 Å / Redundancy: 5.8 % / R_merge(I) obs: 0.649 / Mean I/σ(I) obs: 2.5 / % possible all: 96

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
PDB_EXTRACT	3.004	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
SHELXD		phasing
Coot		model building
MLPHARE		phasing
PHENIX		phasing
REFMAC		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.1→45 Å / Cor.coef. F_o:F_c: 0.961 / Cor.coef. F_o:F_c free: 0.941 / SU B: 8.315 / SU ML: 0.117 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.179 / ESU R Free: 0.166 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.227	1838	5 %	RANDOM
R_work	0.18	-	-	-
all	0.182	-	-	-
obs	0.182	36788	97.9 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 24.956 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.08 Å²	0 Å²	0 Å²
2-	-	-0.3 Å²	0 Å²
3-	-	-	-0.78 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→45 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3662	0	2	354	4018

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.022	3740
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2577
X-RAY DIFFRACTION	r_angle_refined_deg	1.481	1.978	5046
X-RAY DIFFRACTION	r_angle_other_deg	1.02	3	6264
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.299	5	467
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.302	23.871	186
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.192	15	688
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.888	15	39
X-RAY DIFFRACTION	r_chiral_restr	0.085	0.2	582
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	4158
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	745
X-RAY DIFFRACTION	r_nbd_refined	0.222	0.2	796
X-RAY DIFFRACTION	r_nbd_other	0.192	0.2	2700
X-RAY DIFFRACTION	r_nbtor_refined	0.172	0.2	1822
X-RAY DIFFRACTION	r_nbtor_other	0.087	0.2	1907
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.174	0.2	192
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.189	0.2	23
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.269	0.2	44
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.186	0.2	12
X-RAY DIFFRACTION	r_mcbond_it	0.99	1.5	2904
X-RAY DIFFRACTION	r_mcbond_other	0.189	1.5	937
X-RAY DIFFRACTION	r_mcangle_it	1.185	2	3714
X-RAY DIFFRACTION	r_scbond_it	2.466	3	1520
X-RAY DIFFRACTION	r_scangle_it	3.214	4.5	1328

LS refinement shell

Resolution: 2.1→2.154 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.294	138	-
R_work	0.205	2448	-
all	-	2586	-
obs	-	-	94.21 %

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	21.1581	-3.4096	3.2762	6.5181	14.7309	42.1702	0.1892	0.2577	-0.3672	0.4625	-0.4616	0.2647	0.1091	-1.3334	0.2724	0.0746	0.1747	0.1165	0.063	0.0103	0.0315	32.5802	103.0456	47.1021
2	3.8243	-2.7	1.2829	2.2037	-1.5499	1.8253	0.062	0.1406	0.4879	-0.0516	-0.1857	-0.1069	-0.464	-0.0579	0.1237	0.1797	0.0316	0.1266	-0.021	-0.0004	0.1311	38.8036	107.8337	57.6973
3	6.8087	0.8328	-3.4393	1.7147	0.631	2.4231	0.2347	-0.4918	0.11	0.0841	-0.0544	-0.1539	-0.2258	0.2667	-0.1803	0.0429	-0.0378	0.0449	0.1131	-0.0583	0.081	50.4328	100.7554	65.7696
4	8.0205	-4.8267	-2.5582	6.2628	0.5818	1.0891	0.1976	-0.6915	0.4077	0.1106	-0.1727	-0.0433	-0.1243	-0.0672	-0.0249	0.0589	-0.0355	0.0467	0.0779	-0.0735	0.1076	36.4083	101.7321	70.1073
5	3.2844	-0.4153	0.6299	0.1342	-0.3558	1.0547	0.2183	0.1613	0.0737	-0.1001	-0.1221	0.0417	-0.0935	0.0267	-0.0962	0.0991	0.0406	0.084	0.0546	-0.0369	0.0998	42.005	100.027	56.7453
6	14.4968	5.0466	-10.66	3.8459	-6.4696	11.6455	-0.4889	-0.1054	-0.8218	-0.2305	-0.1265	-0.4298	0.3886	0.2519	0.6154	0.0671	0.0173	0.0583	0.058	-0.0634	0.12	47.6555	92.5598	60.3206
7	17.6989	1.2856	5.0064	4.807	4.1435	12.1004	-0.1579	-0.2734	-0.4542	-0.0046	0.0282	0.1383	-0.073	0.217	0.1297	0.0354	-0.0184	0.0534	0.0166	0.0176	0.0559	38.2938	90.6917	66.5117
8	14.615	-8.7556	-20.1721	8.4681	1.4807	62.7339	-0.7823	2.0887	-0.7617	0.0013	-0.8376	0.0266	1.8432	-5.6906	1.6199	0.0202	-0.1973	0.0987	0.4514	-0.1808	0.0941	31.1171	89.1365	53.9695
9	7.4545	-1.1293	-6.1685	0.2767	0.3243	8.6298	0.1398	-0.2555	-0.2828	-0.1036	-0.329	0.139	0.1248	0.0688	0.1892	0.0657	-0.0436	0.025	0.0722	-0.0702	0.0842	30.5433	93.9949	66.345
10	18.4646	4.7954	-1.3291	1.5575	0.1484	0.8765	0.0948	0.1559	-0.1875	0.0557	0.0789	-0.1089	0.0079	0.0441	-0.1737	0.0194	-0.0516	0.0048	0.1	-0.0356	0.0822	17.3703	91.1343	71.1717
11	0.2404	0.3718	-0.3524	1.0942	-0.158	0.8048	-0.0307	0.1042	-0.0016	0.007	0.0548	-0.0129	0.1438	0.0543	-0.0241	0.0441	-0.0243	-0.0085	0.0953	0.0144	0.0869	1.6644	79.2566	77.9893
12	1.0649	0.7781	1.0022	1.0767	-0.3168	5.8671	0.0407	0.0523	0.0262	-0.0274	-0.2061	-0.2433	0.0006	0.2508	0.1653	0.025	-0.0058	-0.0358	0.0742	0.0311	0.1107	11.1146	79.9757	86.3694
13	8.9895	2.4788	-8.0739	1.6247	-3.7342	9.6673	-0.5608	0.222	-0.2274	-0.194	0.1097	-0.0164	0.9093	-0.3996	0.4511	0.1101	-0.0432	0.0466	0.0975	-0.0323	0.0751	6.4408	74.9562	66.9443
14	6.1103	-0.5666	10.3012	5.5854	-0.7503	17.3742	0.3091	0.2178	-0.1772	-0.3533	-0.3203	-0.4388	0.629	0.6301	0.0112	0.0429	0.0015	-0.005	0.1175	0.0296	0.0919	15.0343	78.5342	71.8349
15	20.3009	-1.3163	8.3061	16.3146	-5.4491	12.9441	-0.5142	0.7241	-0.2624	0.4239	-0.3682	-0.6926	-0.8775	0.79	0.8824	-0.0454	-0.0519	-0.1646	0.0864	0.0529	0.1215	20.5281	82.9962	79.8723
16	9.1945	2.2062	-2.7616	1.6914	-3.6468	8.493	0.5361	-1.1298	-0.3396	-0.4435	-0.2887	0.1984	0.3209	0.5582	-0.2474	0.0216	-0.1022	-0.1432	0.1992	0.0578	0.0842	22.0852	87.7282	87.9214
17	9.0173	4.2951	3.0393	4.2424	1.4349	4.8199	0.0159	0.0057	0.2036	0.1392	-0.1035	0.028	-0.3023	0.0507	0.0876	0.1003	0.0019	0.0012	0.0024	0.0404	0.0803	3.4121	88.1217	87.6794
18	8.1718	4.9151	-2.0039	9.0563	1.7761	6.0579	0.0272	-0.2519	0.2627	-0.1667	-0.0498	0.4293	0.07	-0.2439	0.0226	-0.0019	-0.0139	-0.0185	0.0882	0.0432	0.0741	-5.8508	85.718	77.203
19	21.179	5.637	4.3139	1.5462	1.079	1.437	0.2027	-0.2126	0.4782	0.1078	-0.1003	0.1856	-0.1075	0.0298	-0.1024	0.053	-0.0294	0.0061	0.0842	-0.0296	0.0583	12.7002	94.6077	79.143
20	20.4319	3.9146	5.697	16.6814	15.5603	29.0239	0.5499	0.2396	-0.4151	0.4914	0.3962	0.0142	0.9959	0.3836	-0.9461	-0.1142	-0.0539	-0.0861	0.0212	0.0124	0.1372	31.0524	98.2492	84.9615
21	0.1146	0.2331	-0.4161	2.9477	2.8895	7.152	0.0701	-0.0689	-0.0183	-0.0656	-0.3523	0.1075	-0.4234	-0.4695	0.2823	0.0877	0.0578	-0.0204	0.0632	-0.054	0.0831	-7.129	62.5556	75.9626
22	1.2526	1.8457	1.6014	14.2465	1.1891	5.5979	0.014	0.0827	-0.2628	-0.4958	-0.1585	0.6702	0.4469	-0.6205	0.1445	0.1349	-0.1717	-0.0072	0.0933	-0.161	0.0341	-10.9931	45.6279	65.4311
23	3.1808	0.366	-0.0132	14.5244	-6.3223	2.7649	0.0224	0.873	-0.2495	-0.3632	-0.3601	0.0547	-0.0576	-0.8412	0.3377	0.1562	0.0188	-0.0067	0.1543	-0.108	-0.033	-5.3893	56.2916	59.9177
24	0.7104	0.6715	-1.5417	3.3607	-0.6957	3.5584	-0.0286	0.1363	-0.0492	-0.0426	-0.2101	0.0812	0.0738	-0.2191	0.2387	0.0967	0.0202	0.019	0.0358	-0.0422	0.0819	-3.998	52.6228	72.0545
25	3.6223	3.15	-1.941	8.0994	-2.1119	3.8668	-0.1491	0.1277	-0.3325	-0.1935	-0.1592	-0.4008	0.1576	0.0655	0.3084	0.1416	0.0036	0.0925	-0.0202	-0.0323	0.0746	3.5081	50.7707	63.9685
26	9.7282	-3.7488	7.9743	2.1169	-1.3716	39.0129	-0.8841	0.574	0.4173	1.1479	-0.849	-0.6316	-2.9334	1.5901	1.733	0.3957	-0.151	-0.0796	-0.0822	0.1001	0.1433	9.715	60.976	73.3513
27	0.6702	1.0046	-1.1935	5.6688	-3.7024	3.0047	-0.2	-0.0167	-0.0165	-0.4743	0.0982	-0.0983	-0.2149	0.4178	0.1018	0.2074	-0.0155	0.0451	-0.0068	-0.0207	0.0604	4.0983	61.254	64.3206
28	1.4614	1.4896	0.8818	21.5796	-0.9412	0.7009	-0.2174	0.0317	0.0691	-0.1235	0.3035	-0.1072	0.3983	-0.0399	-0.0861	0.2095	-0.0771	0.0517	0.0516	-0.0016	0.0018	6.7379	73.2453	56.2867
29	5.6787	1.7783	-2.2274	4.7574	-2.0708	1.3226	-0.0881	0.0737	-0.3181	-0.0534	0.185	-0.1302	-0.0805	-0.0805	-0.0968	0.078	-0.0237	-0.0066	0.0953	0.0014	0.0637	9.6003	86.3113	58.3342
30	0.5299	0.3535	0.3166	1.8473	1.0243	3.1315	0.0079	-0.0176	-0.0204	-0.1218	0.0082	-0.1008	-0.0582	0.3513	-0.0161	0.0487	-0.0358	0.0481	0.0911	0.0263	0.0593	16.2019	92.2713	43.5235
31	0.988	-0.1263	2.5173	13.0677	0.2755	6.4411	0.0564	-0.0602	0.0184	0.0573	-0.2797	-0.1038	0.328	0.2421	0.2232	0.0064	-0.0039	0.0883	0.1229	0.0142	0.0891	17.7122	86.7887	44.6665
32	0.0995	0.7184	-0.7767	5.1856	-5.6064	6.0614	-0.0537	-0.1519	0.1821	0.0934	-0.1729	-0.0362	-0.2926	0.5921	0.2266	0.0437	-0.0464	0.0285	0.1665	-0.0437	0.0555	18.1905	94.2286	55.8211
33	0.8519	2.3805	4.3748	7.9357	10.1724	25.7459	-0.2431	0.0075	-0.0106	0.0789	-0.0362	-0.1447	0.3687	0.9727	0.2792	-0.0242	0.0103	0.0167	0.1877	-0.0003	0.0469	19.251	85.2936	59.063
34	3.9133	-0.2225	-6.0676	6.5854	11.3454	28.2804	-0.5008	0.4214	-0.3396	0.424	-0.105	0.0236	0.8849	0.1275	0.6058	0.0798	0.0475	0.107	0.032	-0.012	0.0592	18.1965	77.7112	49.9043
35	0.3856	0.3956	-1.4237	16.4894	-0.624	5.3007	-0.228	0.1656	0.147	-1.3879	0.2141	-0.125	0.9411	0.1111	0.0139	0.1226	-0.0924	0.0852	0.0671	-0.0512	0.0126	12.1713	77.1917	41.3679
36	4.2634	-6.3518	0.6305	9.8434	-1.3968	9.501	-0.0089	0.013	0.0369	-0.2598	-0.1759	0.2	-0.0905	-0.4381	0.1848	0.0377	-0.009	0.0526	0.0984	0.0147	0.0505	7.4497	94.8414	42.4061
37	11.0887	3.8831	-3.5015	17.2741	-2.1968	1.1649	0.0581	0.5954	1.0219	-0.5349	0.1786	0.187	-0.0655	-0.0843	-0.2367	0.1262	0.0143	0.0059	0.0562	0.0023	0.0557	7.4187	101.8491	47.9952
38	1.1412	3.4316	0.0935	23.569	3.8921	1.5596	0.0961	0.2181	0.2323	-0.0061	0.0569	0.1503	0.1437	-0.4039	-0.153	0.0448	-0.0131	0.0112	0.1252	0.0084	0.0426	3.448	91.0446	51.661
39	0.8607	-0.8981	-2.4288	29.6324	4.2422	6.9555	0.2641	-0.0286	0.0766	-1.3235	-0.334	0.8319	0.2471	-0.9208	0.0699	0.2211	-0.0707	-0.0651	0.1116	-0.0084	-0.0136	2.6782	76.6052	47.9636
40	23.0444	-6.7183	2.2479	23.8641	-3.3124	7.2126	0.5443	-0.2795	-1.4955	-1.4188	-0.2688	0.1187	0.8068	-0.3864	-0.2755	0.3155	-0.0505	0.0149	-0.059	-0.0154	-0.0195	5.3004	66.0036	45.9605

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	-2 - 3	1 - 6
2	X-RAY DIFFRACTION	2	A	A	4 - 17	7 - 20
3	X-RAY DIFFRACTION	3	A	A	18 - 32	21 - 35
4	X-RAY DIFFRACTION	4	A	A	33 - 40	36 - 43
5	X-RAY DIFFRACTION	5	A	A	41 - 60	44 - 63
6	X-RAY DIFFRACTION	6	A	A	61 - 68	64 - 71
7	X-RAY DIFFRACTION	7	A	A	69 - 77	72 - 80
8	X-RAY DIFFRACTION	8	A	A	78 - 82	81 - 85
9	X-RAY DIFFRACTION	9	A	A	83 - 91	86 - 94
10	X-RAY DIFFRACTION	10	A	A	92 - 102	95 - 105
11	X-RAY DIFFRACTION	11	A	A	103 - 130	106 - 133
12	X-RAY DIFFRACTION	12	A	A	131 - 153	134 - 156
13	X-RAY DIFFRACTION	13	A	A	154 - 161	157 - 164
14	X-RAY DIFFRACTION	14	A	A	162 - 169	165 - 172
15	X-RAY DIFFRACTION	15	A	A	170 - 174	173 - 177
16	X-RAY DIFFRACTION	16	A	A	175 - 185	178 - 188
17	X-RAY DIFFRACTION	17	A	A	186 - 197	189 - 200
18	X-RAY DIFFRACTION	18	A	A	198 - 205	201 - 208
19	X-RAY DIFFRACTION	19	A	A	206 - 228	209 - 231
20	X-RAY DIFFRACTION	20	A	A	229 - 234	232 - 237
21	X-RAY DIFFRACTION	21	B	B	-2 - 13	1 - 16
22	X-RAY DIFFRACTION	22	B	B	14 - 27	17 - 30
23	X-RAY DIFFRACTION	23	B	B	28 - 41	31 - 44
24	X-RAY DIFFRACTION	24	B	B	42 - 61	45 - 64
25	X-RAY DIFFRACTION	25	B	B	62 - 77	65 - 80
26	X-RAY DIFFRACTION	26	B	B	78 - 82	81 - 85
27	X-RAY DIFFRACTION	27	B	B	83 - 89	86 - 92
28	X-RAY DIFFRACTION	28	B	B	90 - 99	93 - 102
29	X-RAY DIFFRACTION	29	B	B	100 - 107	103 - 110
30	X-RAY DIFFRACTION	30	B	B	108 - 141	111 - 144
31	X-RAY DIFFRACTION	31	B	B	142 - 148	145 - 151
32	X-RAY DIFFRACTION	32	B	B	149 - 158	152 - 161
33	X-RAY DIFFRACTION	33	B	B	159 - 168	162 - 171
34	X-RAY DIFFRACTION	34	B	B	169 - 173	172 - 176
35	X-RAY DIFFRACTION	35	B	B	174 - 191	177 - 194
36	X-RAY DIFFRACTION	36	B	B	192 - 197	195 - 200
37	X-RAY DIFFRACTION	37	B	B	198 - 203	201 - 206
38	X-RAY DIFFRACTION	38	B	B	204 - 215	207 - 218
39	X-RAY DIFFRACTION	39	B	B	216 - 224	219 - 227
40	X-RAY DIFFRACTION	40	B	B	225 - 229	228 - 232

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