PDB-3q0j: Crystal Structure of the Mycobacterium tuberculosis Crotonase in ...

ID or keywords:

Entry

Database: PDB / ID: 3q0j

Title

Crystal Structure of the Mycobacterium tuberculosis Crotonase in complex with the Inhibitor AcetoacetylCoA

Components

enoyl-CoA hydratase echA8

Keywords

LYASE/LYASE INHIBITOR /

Structural Genomics / TB Structural Genomics Consortium / TBSGC /

Crotonase /

Enoyl CoA Hydratase /

LYASE / LYASE-LYASE INHIBITOR complex

Function / homology

Function and homology information

enoyl-CoA hydratase /

enoyl-CoA hydratase activity / fatty acid beta-oxidation / peptidoglycan-based cell wall / fatty acid metabolic process /

plasma membrane
Similarity search - Function

Biological species

Mycobacterium tuberculosis (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.4 Å

Authors

Bruning, J.B. / Delgado, E. / Ghosh, S. / Sacchettini, J.C. / TB Structural Genomics Consortium (TBSGC)

Citation

Journal: To be Published
Title: Crystal Structure and Mechanism of the Prokaryotic Crotonase
Authors: Bruning, J.B. / Delgado, E. / Ghosh, S. / Sacchettini, J.C.

History

Deposition	Dec 15, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 25, 2012	Provider: repository / Type: Initial release
Revision 1.1	Sep 13, 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_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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	3q0j.cif.gz	293.6 KB	Display	PDBx/mmCIF format
PDB format	pdb3q0j.ent.gz	236.9 KB	Display	PDB format
PDBx/mmJSON format	3q0j.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/q0/3q0j ftp://data.pdbj.org/pub/pdb/validation_reports/q0/3q0j	HTTPS FTP

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Related structure data

Related structure data	4fjwC 1mj3S 3pzk 3q0g S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4fjw-d 3q0g-2 3q0g-1 3h81-d 4q1g-d 3pea-1 3qxz-d 3pzk-d 4q1j-d 4q1h-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
Other databases	TargetDB: Rv1070c

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#216 - Dec 2017 Biodegradable Plastic similarity (1)

Deposited unit

A: enoyl-CoA hydratase echA8

B: enoyl-CoA hydratase echA8

C: enoyl-CoA hydratase echA8

D: enoyl-CoA hydratase echA8

E: enoyl-CoA hydratase echA8

F: enoyl-CoA hydratase echA8

hetero molecules

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

1

A: enoyl-CoA hydratase echA8

B: enoyl-CoA hydratase echA8

C: enoyl-CoA hydratase echA8

hetero molecules

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

2

D: enoyl-CoA hydratase echA8

E: enoyl-CoA hydratase echA8

F: enoyl-CoA hydratase echA8

hetero molecules

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

3

A: enoyl-CoA hydratase echA8

B: enoyl-CoA hydratase echA8

C: enoyl-CoA hydratase echA8

hetero molecules

A: enoyl-CoA hydratase echA8

B: enoyl-CoA hydratase echA8

C: enoyl-CoA hydratase echA8

hetero molecules

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

4

D: enoyl-CoA hydratase echA8

E: enoyl-CoA hydratase echA8

F: enoyl-CoA hydratase echA8

hetero molecules

D: enoyl-CoA hydratase echA8

E: enoyl-CoA hydratase echA8

F: enoyl-CoA hydratase echA8

hetero molecules

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

Unit cell

Length a, b, c (Å)	98.962, 134.701, 134.334
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	B-502- HOH
2	1	C-833- HOH
3	1	E-504- HOH
4	1	F-892- HOH

#1: Protein	enoyl-CoA hydratase echA8 Mass: 27387.156 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: h37rv / Gene: echA8, MT1100, MTV017.23c, Rv1070c / Plasmid: pVP16 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P64016, UniProt: P9WNN9*PLUS, enoyl-CoA hydratase
#2: Chemical	ChemComp-CAA / ACETOACETYL-COENZYME A / Acetoacetyl-CoA Mass: 851.607 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₅H₄₀N₇O₁₈P₃S
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 976 / 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: 2.72 Å³/Da / Density % sol: 54.85 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 20% PEG3350, 0.2 M LiCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU RUH3R / Wavelength: 1.541 Å

Detector

Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jul 13, 2009 / Details: mirrors

Radiation

Monochromator: osmic mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.541 Å / Relative weight: 1

Reflection

Resolution: 2.4→50 Å / Num. all: 70073 / Num. obs: 70073 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.5 % / R_merge(I) obs: 0.096 / R_sym value: 0.096 / Net I/σ(I): 11.2

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	R_sym value	Diffraction-ID	% possible all
2.4-2.44	3.4	0.478	3.89	0.478	1	99.9
2.44-2.49	3.4	0.432	4.29	0.432	1	99.9
2.49-2.53	3.5	0.381	4.9	0.381	1	99.9
2.53-2.59	3.5	0.366	5.14	0.366	1	99.8
2.59-2.64	3.5	0.317	5.82	0.317	1	99.7
2.64-2.7	3.5	0.311	6.02	0.311	1	99.7
2.7-2.77	3.5	0.272	6.89	0.272	1	99.6
2.77-2.85	3.5	0.235	7.87	0.235	1	99.7
2.85-2.93	3.5	0.198	9.57	0.198	1	99.5
2.93-3.02	3.5	0.172	10.88	0.172	1	99.5
3.02-3.13	3.5	0.146	13.27	0.146	1	99.2
3.13-3.26	3.5	0.111	16.96	0.111	1	99.4
3.26-3.41	3.6	0.094	20.05	0.094	1	99.1
3.41-3.58	3.6	0.08	23.77	0.08	1	98.8
3.58-3.81	3.6	0.068	26.47	0.068	1	98.9
3.81-4.1	3.6	0.066	28.27	0.066	1	98.6
4.1-4.52	3.7	0.06	32.03	0.06	1	98.4
4.52-5.17	3.7	0.057	32.42	0.057	1	98
5.17-6.51	3.7	0.06	29.35	0.06	1	97.4
6.51-50	3.5	0.03	45.67	0.03	1	92

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
SCALEPACK		data scaling
PHASER		phasing
REFMAC	5.5.0102	refinement
PDB_EXTRACT	3.1	data extraction
HKL-2000		data collection
HKL-2000		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1MJ3

1mj3

Resolution: 2.4→26.42 Å / Cor.coef. F_o:F_c: 0.959 / Cor.coef. F_o:F_c free: 0.946 / Occupancy max: 1 / Occupancy min: 0.08 / SU B: 16.23 / SU ML: 0.164 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / ESU R: 0.414 / ESU R Free: 0.241 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22809	3522	5.1 %	RANDOM
R_work	0.19796	-	-	-
obs	0.19951	66199	98.41 %	-
all	-	69721	-	-

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: 6.673 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.08 Å²	0 Å²	0 Å²
2-	-	0.19 Å²	0 Å²
3-	-	-	-0.1 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→26.42 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11203	0	108	976	12287

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.022	11478
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.042	1.977	15553
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.799	5	1531
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.416	23.925	456
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.683	15	1875
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.796	15	90
X-RAY DIFFRACTION	r_chiral_restr	0.069	0.2	1823
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.021	8564
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.514	1.5	7572
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	2.335	2	11982
X-RAY DIFFRACTION	r_scbond_it	3.397	3	3906
X-RAY DIFFRACTION	r_scangle_it	5.057	4.5	3566
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.399→2.461 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.365	252	-
R_work	0.269	4805	-
obs	-	-	98.4 %

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	2.7068	-0.4226	0.2761	3.2018	1.624	3.7475	0.0805	-0.4267	-0.1473	0.2264	-0.0116	0.1053	0.6111	-0.317	-0.0689	0.4253	-0.1437	0.0982	0.4846	0.0754	0.4318	26.0075	-20.187	35.1105
2	2.0839	0.6394	1.2207	1.2344	0.7793	2.2035	0.0605	-0.4147	-0.2811	0.129	-0.0187	0.0884	0.3906	-0.163	-0.0418	0.3901	-0.1089	0.0909	0.4644	0.0343	0.3803	32.2477	-14.6542	35.4226
3	0.2098	-0.1091	0.1685	0.4309	-0.2486	0.5228	-0.0043	-0.21	-0.1306	0.115	-0.0886	0.0356	0.1809	-0.2655	0.0929	0.3853	-0.054	0.0383	0.5193	-0.0527	0.4507	29.743	-7.3462	31.6151
4	0.2149	0.1953	0.0397	0.2037	0.0147	0.6665	-0.0309	-0.0597	0.0783	-0.1335	-0.0168	0.0322	0.0532	-0.1891	0.0477	0.4002	-0.0133	0.0029	0.4671	-0.0556	0.4612	30.2041	-6.5895	18.9491
5	9.6757	2.9005	4.8379	0.7152	1.2421	8.7626	-0.343	-0.4095	0.1509	-0.1774	-0.2229	-0.0161	0.8064	-0.8956	0.5659	0.5971	-0.2884	0.0911	0.4591	-0.2726	0.4867	26.3447	-24.1765	-0.4028
6	0.9353	1.8214	-1.1366	3.5435	-2.8476	5.8703	0.0092	-0.2645	0.3539	0	-0.1776	0.4332	-0.5025	-0.1572	0.1684	0.5563	0.0969	-0.0734	0.3368	-0.2577	0.5922	36.845	32.2076	32.6187
7	1.0514	-0.1781	0.3153	1.4939	-0.9382	3.509	-0.0634	-0.2491	0.1596	0.0985	-0.1633	0.0218	-0.579	0.1968	0.2267	0.5115	0.0437	-0.045	0.3481	-0.1664	0.5034	42.035	26.7208	32.2316
8	0.4064	-0.478	0.454	0.6657	0.0343	3.1787	-0.1647	0.0683	0.2368	-0.1246	-0.1525	0.03	-0.8306	0.2037	0.3173	0.5839	0.039	-0.1552	0.1712	-0.0121	0.6695	45.5926	30.8702	13.8012
9	0.2693	0.16	0.1544	0.2516	-0.0494	0.7835	-0.0472	-0.1263	0.0967	-0.0358	-0.1515	0.0781	-0.0731	-0.1023	0.1986	0.4107	0.075	-0.0533	0.4046	-0.0942	0.5021	35.567	15.1248	23.99
10	9.9123	-3.1173	-3.8051	1.3996	0.1787	3.0812	0.3611	-0.271	0.0753	0.2007	0.0406	-0.0092	-0.4832	0.1028	-0.4017	0.4405	-0.0638	0.049	0.7069	-0.0675	0.3808	34.7268	4.0698	51.691
11	1.131	0.6689	0.5102	1.7808	0.5652	1.6817	-0.062	0.2984	0.0836	-0.3002	0.0513	-0.0504	0.0849	-0.0518	0.0108	0.4788	-0.0265	-0.1304	0.448	0.0135	0.3567	32.1862	1.7371	-13.3223
12	0.6009	0.3456	-0.524	2.7251	-0.926	0.9138	-0.1873	0.333	0.0013	-0.4245	0.0382	-0.0828	0.1112	-0.2027	0.1491	0.4602	-0.047	-0.1023	0.412	-0.0258	0.3449	34.9969	-3.0134	-7.7421
13	0.3694	0.1524	0.2043	0.8433	0.0739	0.3459	-0.111	0.0122	0.0819	-0.1337	-0.0358	0.032	0.0997	-0.1472	0.1468	0.4227	-0.0208	-0.0599	0.4432	-0.0434	0.4427	32.1234	-2.2958	1.9685
14	0.2468	0.1986	0.094	0.3661	0.388	0.6374	-0.1051	-0.1299	0.0746	-0.0597	-0.0581	0.1002	-0.167	-0.1111	0.1632	0.427	0.0572	-0.098	0.3725	-0.0233	0.5036	32.3149	8.808	6.0803
15	2.7722	-2.7489	2.4661	5.7145	-1.3343	2.7835	-0.1654	0.0314	-0.0476	-0.4374	0.185	0.1831	-0.428	0.322	-0.0196	0.6504	-0.0102	-0.1741	0.2585	0.0696	0.5121	44.1985	30.0827	2.8052
16	1.386	0.2286	0.7426	1.2357	-0.7898	1.9872	-0.0409	0.2876	-0.195	-0.0666	0.083	-0.1047	0.3634	0.1913	-0.042	0.3944	0.1362	0.0578	0.5516	-0.1077	0.3746	19.0293	-16.7258	62.622
17	0.2223	-0.0511	0.0164	0.6131	-0.2267	1.151	0.0682	0.1775	-0.0818	-0.0438	-0.031	0.0045	0.0276	0.2119	-0.0372	0.3205	0.0701	0.0399	0.5921	-0.0115	0.3756	20.9339	-5.2197	67.1085
18	1.7436	-1.3831	-0.2344	1.3113	0.3696	0.3614	-0.119	-0.0628	0.1563	0.151	0.1773	-0.1664	-0.1859	0.2438	-0.0583	0.3135	-0.0696	0.0087	0.6038	0.0275	0.4477	25.438	2.3163	71.427
19	0.5803	-0.1642	-0.1213	0.348	0.2575	0.6697	0.0218	0.099	0.0366	0.1101	-0.0377	0.0281	0.2019	0.1151	0.0159	0.4752	0.0823	-0.0196	0.4537	-0.0085	0.3905	15.3678	-14.1217	86.1706
20	29.434	-2.6728	23.5136	10.8637	14.8991	50.0402	-0.0032	1.56	0.8844	3.2885	-1.2408	0.1487	6.2398	1.2429	1.244	1.6925	0.6624	0.2721	0.7727	0.3878	0.1699	24.4267	-23.8739	97.977
21	2.9316	-1.6179	0.9957	2.0679	-1.0408	1.4377	0.1092	0.6819	0.9281	0.1827	-0.0616	-0.3046	-0.7744	-0.0568	-0.0477	0.8256	0.0266	0.2371	0.3672	0.3032	0.5304	11.3239	32.4384	67.1453
22	1.0247	-0.3445	-0.3527	0.9102	0.9051	1.4393	0.0189	0.2334	0.3574	-0.1944	-0.1202	-0.0502	-0.762	-0.1178	0.1012	0.7057	-0.0134	0.0038	0.3203	0.1446	0.4101	5.79	27.8953	73.0283
23	0.4751	-0.176	-0.3238	0.4806	0.2759	1.4506	0.0629	0.064	0.0488	-0.006	-0.0486	-0.1274	-0.3113	0.1103	-0.0143	0.4675	-0.1115	0.0224	0.4039	0.0496	0.4486	12.6171	19.8772	79.9606
24	3.5217	0.5829	-0.9707	1.4663	0.9372	0.5998	-0.1403	0.0314	0.0071	-0.227	0.2182	-0.1127	-0.0782	0.1484	-0.0779	0.3536	-0.2202	0.0402	0.6068	0.0512	0.4461	26.1105	17.8157	75.0341
25	0.9906	0.0936	-0.4603	0.6073	0.5403	0.805	0.1185	0.2488	-0.0056	-0.0165	0.0149	-0.0312	-0.1943	-0.1426	-0.1335	0.4084	0.0283	0.0483	0.5602	0.0277	0.355	11.6563	6.0221	57.9948
26	0.7832	-0.7564	0.2925	2.7576	0.7294	1.8205	-0.0458	-0.2269	0.0165	0.4084	0.1437	0.0749	0.0146	0.0294	-0.0979	0.496	-0.0046	-0.11	0.4656	-0.0121	0.352	16.5461	2.1589	111.1795
27	0.3751	-0.1166	-0.6113	0.9865	-0.3993	1.2437	-0.0948	-0.2132	0.0183	0.2704	0.0251	0.0653	0.0808	0.2814	0.0698	0.4869	0.0105	-0.1245	0.4122	-0.0476	0.4113	15.0798	-3.6677	105.275
28	0.1656	-0.1869	0.1228	0.6781	0.1473	0.7561	0.011	0.0541	0.0625	0.1688	-0.005	-0.044	0.1086	0.1825	-0.0059	0.4102	0.0047	-0.0529	0.4773	-0.0131	0.4196	17.7037	-2.4129	95.0355
29	0.3667	-0.06	-0.0361	0.9588	-0.5909	1.2918	0.0432	0.1343	0.0692	0.1103	-0.1485	-0.1564	-0.2976	0.3486	0.1053	0.3726	-0.1292	-0.0698	0.4506	-0.0006	0.4329	21.9486	9.9388	95.3678
30	0.424	-0.2304	0.0791	2.4457	1.2743	0.7859	0.0448	0.1637	0.1475	0.0587	0.0201	-0.3103	-0.0245	-0.0525	-0.065	0.543	0.0016	0.0052	0.3518	0.0411	0.4812	4.0647	21.9908	90.4634

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 39
2	X-RAY DIFFRACTION	2	A	40 - 81
3	X-RAY DIFFRACTION	3	A	82 - 139
4	X-RAY DIFFRACTION	4	A	140 - 234
5	X-RAY DIFFRACTION	5	A	235 - 255
6	X-RAY DIFFRACTION	6	B	1 - 26
7	X-RAY DIFFRACTION	7	B	27 - 57
8	X-RAY DIFFRACTION	8	B	58 - 81
9	X-RAY DIFFRACTION	9	B	82 - 233
10	X-RAY DIFFRACTION	10	B	234 - 254
11	X-RAY DIFFRACTION	11	C	1 - 39
12	X-RAY DIFFRACTION	12	C	40 - 79
13	X-RAY DIFFRACTION	13	C	80 - 153
14	X-RAY DIFFRACTION	14	C	154 - 227
15	X-RAY DIFFRACTION	15	C	228 - 255
16	X-RAY DIFFRACTION	16	D	2 - 91
17	X-RAY DIFFRACTION	17	D	92 - 146
18	X-RAY DIFFRACTION	18	D	147 - 185
19	X-RAY DIFFRACTION	19	D	186 - 237
20	X-RAY DIFFRACTION	20	D	238 - 256
21	X-RAY DIFFRACTION	21	E	2 - 31
22	X-RAY DIFFRACTION	22	E	32 - 80
23	X-RAY DIFFRACTION	23	E	81 - 164
24	X-RAY DIFFRACTION	24	E	165 - 185
25	X-RAY DIFFRACTION	25	E	186 - 254
26	X-RAY DIFFRACTION	26	F	1 - 42
27	X-RAY DIFFRACTION	27	F	43 - 79
28	X-RAY DIFFRACTION	28	F	80 - 158
29	X-RAY DIFFRACTION	29	F	159 - 209
30	X-RAY DIFFRACTION	30	F	210 - 254

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