PDB-3qoc: Crystal structure of N-terminal domain (Creatinase/Prolidase like...

ID or keywords:

Entry

Database: PDB / ID: 3qoc

Title

Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae

Components

Putative metallopeptidase

Keywords

HYDROLASE / MCSG / PSI-2 / Structural Genomics / Midwest Center for Structural Genomics

Function / homology

Function and homology information

hydrolase activity / metal ion binding
Similarity search - Function

Biological species

Corynebacterium diphtheriae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.15 Å

Authors

Nocek, B. / Stein, A. / Marshall, N. / Putagunta, R. / Feldmann, B. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: TO BE PUBLISHED
Title: Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae
Authors: Nocek, B. / Stein, A. / Marshall, N. / Putagunta, R. / Feldmann, B. / Joachimiak, A.

History

Deposition	Feb 9, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 23, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3qoc.cif.gz	202 KB	Display	PDBx/mmCIF format
PDB format	pdb3qoc.ent.gz	173.9 KB	Display	PDB format
PDBx/mmJSON format	3qoc.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3qoc_validation.pdf.gz	462.6 KB	Display	wwPDB validaton report
Full document	3qoc_full_validation.pdf.gz	467.5 KB	Display
Data in XML	3qoc_validation.xml.gz	20.7 KB	Display
Data in CIF	3qoc_validation.cif.gz	29.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qo/3qoc ftp://data.pdbj.org/pub/pdb/validation_reports/qo/3qoc	HTTPS FTP

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Related structure data

Similar structure data	2ig3-2 5x1x-d 4qm9-2 4pej-1 5d48-d 6bs9-2 3a6v-1 4ymp-2 3eqe-2 4wbf-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: apc62769.2

Similar structure data

Other databases

TargetDB: apc62769.2

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Putative metallopeptidase

B: Putative metallopeptidase

C: Putative metallopeptidase

D: Putative metallopeptidase

hetero molecules

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

1

A: Putative metallopeptidase

hetero molecules

defined by software
15 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Putative metallopeptidase

hetero molecules

defined by software
15 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Putative metallopeptidase

hetero molecules

defined by software
14.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Putative metallopeptidase

hetero molecules

defined by software
14.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	79.013, 82.588, 104.102
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Details

THE AUTHOR STATES THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.

#1: Protein	Putative metallopeptidase Mass: 14851.664 Da / Num. of mol.: 4 / Fragment: sequence database residues 4-135 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Corynebacterium diphtheriae (bacteria) / Gene: DIP1341 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21DE3 / References: UniProt: Q6NH06
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 117 / 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: 2.86 Å³/Da / Density % sol: 56.97 %
Crystal grow	Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.2 M Ammonium acetate 0.1 M HEPES 7.5 45% 2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP

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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 315r / Detector: CCD / Date: Jun 10, 2010 / 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: 2.15→40 Å / Num. all: 37532 / Num. obs: 37532 / % possible obs: 100 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 6.1 % / B_iso Wilson estimate: 43.8 Å² / R_merge(I) obs: 0.1 / Net I/σ(I): 27
Reflection shell	Resolution: 2.15→2.23 Å / % possible all: 100

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
HKL-3000		phasing
SHELX		model building
ARP/wARP		model building
REFMAC	5.5.0109	refinement
HKL-3000		data reduction
HKL-3000		data scaling
SHELX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.15→40 Å / Cor.coef. F_o:F_c: 0.941 / Cor.coef. F_o:F_c free: 0.92 / SU B: 10.567 / SU ML: 0.127 / Cross valid method: THROUGHOUT / σ(F): 2 / σ(I): 2 / ESU R: 0.202 / ESU R Free: 0.185 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25392	1867	5 %	RANDOM
R_work	0.20742	-	-	-
all	0.21	37356	-	-
obs	0.2098	35489	98.67 %	-

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: 27.026 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.89 Å²	0 Å²	0 Å²
2-	-	1.75 Å²	0 Å²
3-	-	-	-0.86 Å²

Refinement step

Cycle: LAST / Resolution: 2.15→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3768	0	22	117	3907

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.023	0.022	3843
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2548
X-RAY DIFFRACTION	r_angle_refined_deg	1.859	1.98	5220
X-RAY DIFFRACTION	r_angle_other_deg	1.028	3	6221
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.19	5	507
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.786	23.067	150
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.254	15	639
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.059	15	36
X-RAY DIFFRACTION	r_chiral_restr	0.111	0.2	635
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	4289
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	755
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	1.053	1.5	2529
X-RAY DIFFRACTION	r_mcbond_other	0.295	1.5	1023
X-RAY DIFFRACTION	r_mcangle_it	1.893	2	4039
X-RAY DIFFRACTION	r_scbond_it	3.137	3	1314
X-RAY DIFFRACTION	r_scangle_it	4.834	4.5	1179
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.148→2.203 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.274	110	-
R_work	0.258	2276	-
obs	-	-	86.67 %

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	4.904	-1.7232	4.2689	0.8187	-1.1197	3.5239	-0.0501	-0.4142	-0.0301	0.1133	0.1867	-0.2095	-0.0069	-0.3918	-0.1366	0.185	-0.0392	-0.0283	0.235	-0.0468	0.1291	24.7048	28.5626	34.3923
2	5.7958	2.5502	-0.4353	4.6353	3.5893	3.4887	0.1868	-0.5085	0.0779	0.3196	-0.1798	0.0218	0.2188	0.0331	-0.007	0.1799	-0.0023	0.0113	0.205	-0.0056	0.0634	16.2024	28.7706	29.7463
3	4.4754	-5.3116	-0.2385	7.1664	3.7247	8.1473	0.054	-0.0165	-0.0454	0.0249	-0.2469	0.1723	0.1558	-0.5931	0.1929	0.0777	-0.0597	0.1043	0.2374	-0.0211	0.223	5.6483	24.1639	25.4596
4	1.4899	-0.2132	-0.2499	1.059	0.2098	0.8074	0.0325	-0.0465	-0.0191	0.0192	-0.0196	0.0041	-0.001	0.0043	-0.0129	0.117	0.0032	0.0072	0.1355	-0.0014	0.0924	19.9782	25.6491	17.9536
5	1.7171	-1.5963	-2.8489	2.5295	0.2365	7.0881	-0.013	-0.1328	0.1057	-0.0217	-0.0056	-0.239	0.1123	0.3296	0.0186	0.108	-0.0164	-0.011	0.1819	-0.0331	0.164	30.9518	23.9681	19.4679
6	2.0322	0.7348	1.3031	2.4414	1.0218	3.6716	0.0451	0.0567	-0.1404	-0.0303	0.0141	-0.0284	0.0949	0.0555	-0.0592	0.1228	0.0074	0.0012	0.1158	-0.0034	0.1396	21.636	17.915	13.9849
7	16.6484	2.4471	-7.5308	7.6941	1.5099	4.0654	0.0697	-0.5961	-0.628	0.392	-0.177	-0.4893	0.1096	0.2433	0.1072	0.171	-0.0053	-0.1072	0.2447	0.0455	0.1416	10.1961	11.7967	17.6535
8	0.371	-0.4523	1.1086	1.8205	-1.4186	2.666	-0.0332	-0.0782	0.0272	0.0024	0.0025	-0.0001	-0.0562	-0.1695	0.0307	0.1011	-0.0063	0.0091	0.1652	0.0073	0.1605	6.8685	26.6958	12.3082
9	3.0814	5.5199	-1.8715	19.6445	-6.5411	2.9968	-0.0562	0.1134	0.1174	-0.3909	0.2057	-0.0113	0.204	-0.2775	-0.1495	0.1	-0.0155	-0.0241	0.1918	0.0046	0.1243	7.4316	17.7021	7.2856
10	2.9564	1.3233	0.2065	3.5635	-1.0563	0.7766	0.1833	-0.1145	0.2678	0.0989	-0.2005	0.5635	-0.0115	-0.1476	0.0171	0.1125	-0.0009	0.016	0.2105	-0.0334	0.1964	4.2441	23.362	16.9563
11	0.0753	-0.6646	0.6034	3.6582	-3.909	3.5059	0.0793	0.0497	0.0341	-0.2343	-0.056	0.055	0.2356	0.082	-0.0233	0.1718	-0.02	0.0144	0.2301	0.0543	0.1213	8.36	47.5274	-22.7898
12	1.4965	4.4632	1.038	10.5464	2.6292	1.5716	-0.2319	0.1219	0.0124	-0.5431	0.2269	0.0557	0.0711	-0.012	0.005	0.1881	0.0395	-0.0011	0.2641	-0.0213	0.0822	5.8476	38.2418	-17.8163
13	9.9405	-3.7105	-2.9825	4.8189	-1.7731	4.1899	0.0223	-0.015	-0.1703	-0.4088	-0.0406	0.0755	0.0827	0.2046	0.0182	0.1343	-0.0375	-0.0133	0.1826	-0.0452	0.141	0.4236	28.9107	-13.7879
14	4.9102	1.4138	-0.475	2.264	-0.7001	0.7507	-0.1311	-0.0861	-0.0306	-0.0331	0.0825	-0.0401	-0.0398	0.0098	0.0487	0.1179	0.0007	0.0068	0.1454	0.0052	0.1165	7.7562	40.014	-5.3429
15	3.4556	0.353	-1.1168	0.1032	0.329	1.5864	-0.0004	-0.02	0.1092	-0.0171	0.0279	0.037	-0.1096	0.1054	-0.0275	0.1662	0.0029	0.0078	0.1339	-0.0052	0.122	7.9879	46.3418	-5.9987
16	1.8976	0.7019	-0.4074	3.6101	1.6234	2.8631	-0.0165	0.0135	-0.0416	-0.0181	-0.0675	0.2273	0.0626	-0.2327	0.0841	0.0966	0.031	-0.0043	0.1234	0.0291	0.1312	-1.165	43.7993	-8.9224
17	1.3258	-0.4506	0.4107	4.666	1.3928	15.3899	-0.0165	0.0923	0.4918	0.0302	0.098	0.1634	-0.5026	-0.0581	-0.0815	0.12	0.0086	0.0237	0.1274	0.0324	0.2064	4.3216	55.2426	-7.0877
18	1.4718	0.8665	0.4201	1.1033	-0.7182	2.8213	0.1071	-0.0915	0.2241	0.1547	-0.0547	0.1542	-0.1699	-0.0859	-0.0523	0.1021	0.0175	0.0169	0.1612	0.0004	0.1366	-3.2415	46.2444	-2.1398
19	4.5747	0.9775	0.4212	1.3779	0.4336	0.9677	-0.0111	0.07	0.0737	-0.0681	0.0164	0.1347	-0.0286	-0.1046	-0.0053	0.1352	-0.0043	-0.0025	0.1329	0.0206	0.1263	-6.5189	33.7754	-6.7
20	2.1853	-0.2567	1.057	0.638	0.4171	1.1922	0.0901	-0.1029	-0.0244	-0.0007	0.0185	-0.0161	0.0095	-0.13	-0.1086	0.114	-0.0138	0.0119	0.1471	0.0334	0.1533	-1.6284	31.0246	0.5087
21	7.9519	-8.3065	2.7168	-3.9033	2.0596	5.5946	0.5535	0.3946	-1.3162	0.112	-0.0409	0.6571	1.9549	1.8586	-0.5126	0.6386	0.3114	-0.242	0.7951	0.1271	0.3916	47.1545	29.8882	3.6346
22	5.8228	-1.2865	0.037	10.457	-0.7262	0.5346	-0.3238	-0.3156	0.54	0.1951	0.2273	-0.621	-0.0081	0.2667	0.0964	0.0742	-0.0284	-0.0422	0.2115	-0.0102	0.2227	43.9298	38.5576	-2.5028
23	6.7233	-2.0908	1.0416	2.4784	0.3666	0.147	-0.2153	0.587	1.052	-0.0195	0.0331	-0.3786	0.0065	0.1323	0.1822	0.1443	-0.0502	0.0073	0.1844	0.111	0.3971	35.4641	48.1331	-7.175
24	3.1287	-0.2593	-0.2365	1.4351	-1.0277	2.0734	-0.0427	0.0761	-0.0115	-0.0836	0.02	-0.0479	0.1625	-0.0261	0.0227	0.1221	0.001	0.0098	0.1389	0.0062	0.1013	35.4774	30.7497	-7.4668
25	1.9721	-0.0833	-0.1116	5.8827	-1.3237	1.5044	-0.1254	-0.0619	0.0803	0.1675	0.018	-0.0872	-0.0446	0.0039	0.1074	0.1068	0.0117	0.0036	0.1672	0.0137	0.0863	31.6784	32.3322	0.3489
26	2.1423	-1.0162	0.2729	1.9416	-0.867	1.8945	-0.099	-0.0529	-0.038	0.0173	0.0459	-0.0004	-0.0312	0.011	0.0531	0.0977	0.0009	0.0163	0.1455	0.0026	0.1096	29.8365	29.965	0.5911
27	8.1009	-4.3092	-0.2855	5.427	-6.4397	9.569	-0.2564	-0.9895	0.4203	0.716	0.1432	-0.3925	-0.9028	0.4953	0.1132	0.1874	-0.0087	-0.0043	0.2153	-0.0432	0.2309	23.1972	45.7611	0.4828
28	2.6531	0.1261	0.7902	0.8451	2.2255	4.7677	-0.0235	0.0928	0.1222	-0.0451	0.0394	-0.0322	-0.0747	0.1421	-0.0159	0.1533	0.0146	0.016	0.1309	0.0745	0.1446	29.5781	40.1454	-14.0789
29	6.5401	-2.0478	-11.7739	9.1141	3.977	22.0199	-0.0789	-0.146	-0.2072	-0.1091	0.0265	0.0119	0.3318	-0.3131	0.0524	0.1064	-0.0258	-0.0007	0.1621	0.054	0.132	20.1834	35.0417	-15.1098
30	5.9801	0.6343	-1.4633	1.7003	-0.4709	2.3452	-0.0843	-0.1928	0.3188	-0.2405	-0.0879	-0.0473	0.0598	0.15	0.1722	0.1147	0.0176	0.0066	0.1224	0.0469	0.1584	25.0967	43.3507	-10.7052
31	4.688	-3.9058	3.764	8.5875	1.2532	6.2169	-0.3915	0.4341	0.7606	-0.0006	-0.1085	-0.8108	-0.6928	0.6857	0.5	0.2022	-0.2015	-0.0675	0.1448	0.1002	0.374	22.6302	62.6554	16.7145
32	3.5619	-1.3063	-1.3975	4.2459	0.4133	2.5171	-0.2995	-0.5201	0.2537	0.434	0.0901	-0.1592	-0.488	0.0018	0.2094	0.2745	0.0359	-0.108	0.1591	-0.0837	0.1588	12.9847	58.7991	21.8269
33	7.7811	-0.2253	-5.7427	1.3631	-0.1402	3.3204	0.1351	-0.3319	0.2015	0.2757	-0.0694	-0.1146	-0.2305	0.0778	-0.0657	0.2673	0.0901	-0.1197	0.2432	-0.0442	0.1674	6.736	59.5862	17.1999
34	1.6351	-0.1268	2.3371	2.8389	0.158	2.7159	-0.2829	0.2173	0.2396	-0.1649	-0.0708	-0.2509	-0.3539	0.2504	0.3536	0.212	-0.0417	0.0039	0.1238	0.0455	0.1834	15.2175	54.5061	12.5405
35	7.3421	-1.372	3.5208	4.8134	-0.7097	5.9195	-0.0316	0.349	-0.0429	-0.0963	-0.0202	0.1992	-0.4059	-0.3524	0.0518	0.2161	0.0483	-0.0006	0.074	-0.0216	0.1349	2.5054	57.9975	10.6895
36	3.0165	-1.7267	1.832	3.8905	-2.4487	4.194	-0.0529	0.2445	-0.0365	-0.0183	-0.1338	0.0115	-0.1834	0.091	0.1867	0.1453	-0.0113	0.0043	0.1299	-0.0137	0.1096	10.8737	50.7639	11.6359
37	16.6581	-0.6405	11.639	1.9671	2.4911	11.4877	0.2384	1.2387	0.5274	-0.5818	-0.2092	-0.2727	-0.635	0.7083	-0.0292	0.2001	-0.0467	0.0953	0.2796	0.0778	0.2234	23.0568	44.3243	11.5321
38	0.4777	0.6498	-1.0079	3.0945	0.6189	3.3503	0.0589	-0.0354	0.0717	-0.0091	-0.0764	0.081	-0.2758	-0.0255	0.0176	0.1437	0.0305	-0.0819	0.1413	-0.0053	0.1916	17.5689	49.5802	26.7699
39	5.1432	-1.8058	-2.3602	3.8403	-0.1714	3.866	0.0429	-0.1024	0.0653	0.001	-0.1331	-0.357	-0.0888	0.2239	0.0902	0.1267	-0.0069	-0.006	0.1457	-0.022	0.1502	19.7489	40.6675	21.1335
40	14.0282	-6.0015	-1.5484	0.505	2.8096	7.5626	0.0418	-0.1275	1.1579	0.1697	0.1037	-1.0632	-0.1171	-0.1492	-0.1456	0.2409	-0.0367	-0.4801	0.2228	-0.0568	0.9177	22.335	53.7495	26.5672

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	3 - 11
2	X-RAY DIFFRACTION	2	A	12 - 17
3	X-RAY DIFFRACTION	3	A	18 - 29
4	X-RAY DIFFRACTION	4	A	30 - 66
5	X-RAY DIFFRACTION	5	A	67 - 75
6	X-RAY DIFFRACTION	6	A	76 - 89
7	X-RAY DIFFRACTION	7	A	90 - 97
8	X-RAY DIFFRACTION	8	A	98 - 109
9	X-RAY DIFFRACTION	9	A	110 - 120
10	X-RAY DIFFRACTION	10	A	121 - 131
11	X-RAY DIFFRACTION	11	B	3 - 12
12	X-RAY DIFFRACTION	12	B	13 - 19
13	X-RAY DIFFRACTION	13	B	20 - 28
14	X-RAY DIFFRACTION	14	B	29 - 38
15	X-RAY DIFFRACTION	15	B	39 - 49
16	X-RAY DIFFRACTION	16	B	50 - 65
17	X-RAY DIFFRACTION	17	B	66 - 75
18	X-RAY DIFFRACTION	18	B	76 - 90
19	X-RAY DIFFRACTION	19	B	91 - 102
20	X-RAY DIFFRACTION	20	B	103 - 128
21	X-RAY DIFFRACTION	21	C	4 - 9
22	X-RAY DIFFRACTION	22	C	10 - 18
23	X-RAY DIFFRACTION	23	C	19 - 29
24	X-RAY DIFFRACTION	24	C	30 - 51
25	X-RAY DIFFRACTION	25	C	52 - 68
26	X-RAY DIFFRACTION	26	C	69 - 91
27	X-RAY DIFFRACTION	27	C	92 - 97
28	X-RAY DIFFRACTION	28	C	98 - 107
29	X-RAY DIFFRACTION	29	C	108 - 113
30	X-RAY DIFFRACTION	30	C	114 - 131
31	X-RAY DIFFRACTION	31	D	8 - 28
32	X-RAY DIFFRACTION	32	D	29 - 39
33	X-RAY DIFFRACTION	33	D	40 - 47
34	X-RAY DIFFRACTION	34	D	48 - 64
35	X-RAY DIFFRACTION	35	D	65 - 74
36	X-RAY DIFFRACTION	36	D	75 - 90
37	X-RAY DIFFRACTION	37	D	91 - 97
38	X-RAY DIFFRACTION	38	D	98 - 110
39	X-RAY DIFFRACTION	39	D	111 - 123
40	X-RAY DIFFRACTION	40	D	124 - 131

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