PDB-2q1u: Crystal structure of the Bordetella bronchiseptica enzyme WbmF in...

ID or keywords:

Entry

Database: PDB / ID: 2q1u

Title

Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP

Components

Putative nucleotide sugar epimerase/ dehydratase

Keywords

SUGAR BINDING PROTEIN /

ROSSMANN FOLD / PROTEIN-NAD+ COMPLEX / PROTEIN-UDP COMPLEX

Function / homology

Function and homology information

glutamine metabolic process /

transferase activity /

nucleotide binding
Similarity search - Function

Biological species

Bordetella bronchiseptica (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.7 Å

Authors

Harmer, N.J. / King, J.D. / Palmer, C.M. / Maskell, D. / Blundell, T.L.

Citation

Journal: J.Mol.Biol. / Year: 2007
Title: Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
Authors: King, J.D. / Harmer, N.J. / Preston, A. / Palmer, C.M. / Rejzek, M. / Field, R.A. / Blundell, T.L. / Maskell, D.J.

History

Deposition	May 25, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 2, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Derived calculations / Version format compliance
Revision 1.2	Nov 12, 2014	Group: Structure summary
Revision 1.3	Aug 30, 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	2q1u.cif.gz	163 KB	Display	PDBx/mmCIF format
PDB format	pdb2q1u.ent.gz	126.5 KB	Display	PDB format
PDBx/mmJSON format	2q1u.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/q1/2q1u ftp://data.pdbj.org/pub/pdb/validation_reports/q1/2q1u	HTTPS FTP

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Related structure data

Related structure data	2pzjSC 2pzkC 2pzlC 2pzmC 2q1sC 2q1tC 2q1wC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4gj5-d 5w57-d 3zgj-d 2q1t-1 5sy3-d 2w9z-d 2pzj-1 1uda-1 3dg6-1 1bil-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1) #254 - Feb 2021 Cellulose Synthase similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1)

Deposited unit

A: Putative nucleotide sugar epimerase/ dehydratase

B: Putative nucleotide sugar epimerase/ dehydratase

hetero molecules

85.5 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)	121.851, 79.682, 84.953
Angle α, β, γ (deg.)	90.00, 113.10, 90.00
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	B-833- HOH

Details

The biological unit is a dimer made from chains A and B.

#1: Protein	Putative nucleotide sugar epimerase/ dehydratase Mass: 41594.832 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bordetella bronchiseptica (bacteria) / Gene: BbLPS1.16, wbmF / Plasmid: pET15b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: O87989
#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Nicotinamide adenine dinucleotide Mass: 663.425 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-UDP / URIDINE-5'-DIPHOSPHATE / Uridine diphosphate Type: RNA linking / Mass: 404.161 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₉H₁₄N₂O₁₂P₂ / Comment: UDP*YM
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 495 / 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: 2.28 Å³/Da / Density % sol: 46.03 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.1 M Tris, 0.2 M calcium acetate, 20 % (w/v) PEG 3000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.977 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: May 18, 2006
Radiation	Monochromator: Si 111 Channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.977 Å / Relative weight: 1
Reflection	Resolution: 1.7→50 Å / Num. all: 82675 / Num. obs: 81311 / % possible obs: 98.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 3.9 % / B_iso Wilson estimate: 23.3 Å² / R_merge(I) obs: 0.055 / Net I/σ(I): 21.9
Reflection shell	Resolution: 1.7→1.73 Å / Redundancy: 2.9 % / R_merge(I) obs: 0.459 / Mean I/σ(I) obs: 2.18 / Num. unique all: 4064 / % possible all: 87.1

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
ADSC	Quantum	data collection
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: The starting model was the related PDB entry 2PZJ, the same protein in a different crystal form. The biological unit (i.e. a dimer), generated from crystallographic symmetry, was used ...
Resolution: 1.7→50 Å / Cor.coef. F_o:F_c: 0.969 / SU B: 2.977 / SU ML: 0.053 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: ISOTROPIC with TLS / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.095 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.211	4061	-	RANDOM
R_work	0.177	-	-	-
all	0.177	82675	-	-
obs	0.17736	81311	98.16 %	-

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: 20.913 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.96 Å²	0 Å²	-1.01 Å²
2-	-	1.77 Å²	0 Å²
3-	-	-	-0.6 Å²

Refinement step

Cycle: LAST / Resolution: 1.7→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5091	0	142	495	5728

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.021	5429
X-RAY DIFFRACTION	r_angle_refined_deg	1.538	1.98	7434
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	8.731	5	697
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.584	24.061	229
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.383	15	823
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.43	15	29
X-RAY DIFFRACTION	r_chiral_restr	0.106	0.2	851
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	4107
X-RAY DIFFRACTION	r_nbd_refined	0.199	0.2	2608
X-RAY DIFFRACTION	r_nbtor_refined	0.308	0.2	3732
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.134	0.2	445
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.13	0.2	33
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.25	0.2	14
X-RAY DIFFRACTION	r_mcbond_it	0.887	1.5	3457
X-RAY DIFFRACTION	r_mcangle_it	1.302	2	5427
X-RAY DIFFRACTION	r_scbond_it	2.001	3	2248
X-RAY DIFFRACTION	r_scangle_it	2.908	4.5	1992

LS refinement shell

Resolution: 1.695→1.739 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_work	0.249	5244	-
R_free	-	0	-
obs	-	-	85.76 %

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	8.2377	-0.1023	0.8172	4.5249	1.9895	5.8411	0.0635	0.2394	-0.098	-0.1263	0.0133	0.322	0.0444	-0.6777	-0.0769	0.0043	-0.1054	-0.1004	0.1402	0.0783	0.0375	-5.9231	13.8166	9.4282
2	1.0687	-0.3012	0.9244	0.3133	-0.9984	3.1829	0.0338	-0.0776	-0.1673	0.0264	0.1603	0.2426	0.2913	-0.481	-0.1941	0.0501	-0.1086	-0.0452	0.0617	0.0589	0.13	-2.4739	10.4073	20.8768
3	20.4408	4.6361	10.048	3.3475	6.3105	12.0185	0.0514	0.2209	-0.2679	-0.1323	0.1247	0.0921	0.3346	-0.5929	-0.1762	0.1155	-0.1757	-0.016	-0.0021	0.077	0.1135	-4.4026	4.1416	27.6472
4	30.2599	-1.0501	5.3174	7.851	-5.9455	5.1814	-0.2792	1.0826	-0.2218	-0.3254	0.5084	0.1895	1.3856	-0.88	-0.2293	0.1294	-0.252	-0.113	0.1235	0.0391	0.1303	-5.5924	2.3299	16.7394
5	2.5609	-1.1777	0.7363	0.7697	0.1446	1.2352	0.1015	0.1749	-0.254	-0.1771	0.0474	0.1447	0.6261	0.0512	-0.1489	0.2465	-0.1021	-0.0781	-0.0973	-0.0186	0.0908	8.5628	1.8517	13.5788
6	2.0455	-0.0548	2.2542	0.5249	-0.3952	4.0985	0.0153	-0.0904	-0.0315	0.0411	0.0526	0.0939	0.1968	-0.1016	-0.0679	0.0845	-0.0375	-0.0257	0.0217	0.0218	0.0777	11.4548	12.0718	23.812
7	2.7445	-0.4522	0.9615	0.7931	-0.5888	3.3182	0.0708	0.2219	-0.105	-0.0938	0.0691	0.0927	0.2425	-0.0035	-0.1399	0.0803	-0.0442	-0.0596	0.033	0.0135	0.0712	9.7617	13.2868	10.5385
8	13.822	0.1667	9.1657	0.7929	-0.2216	6.2175	0.1051	-0.1633	0.3232	0.1627	0.1141	0.1508	-0.226	0.0547	-0.2192	0.1269	-0.0003	0.0282	0.0002	-0.0186	0.1937	18.2716	30.7357	21.269
9	1.0775	-0.1435	0.1773	0.6164	-0.2983	1.5721	0.0823	0.0569	0.1002	-0.0079	0.0449	0.0066	-0.0918	0.072	-0.1272	0.061	-0.0086	-0.0162	0.0407	0.0228	0.0986	14.7222	21.1006	16.7627
10	2.2598	-1.1802	-0.3681	1.5862	-0.0939	1.7691	0.0237	-0.0973	0.0139	0.1006	0.0512	0.1071	0.185	-0.0903	-0.0749	0.0689	-0.0328	0.017	0.0309	0.0309	0.0738	3.8403	14.9414	37.4524
11	0.4317	0.0745	-2.574	9.7664	2.2997	16.1175	0.1644	-0.5038	-0.39	0.5473	-0.0397	-0.4994	0.5121	0.0329	-0.1246	0.0635	-0.0438	0.0586	0.1015	0.0499	0.067	-2.4745	17.3018	49.2463
12	0.6815	0.6434	-0.9311	2.9937	2.5798	6.2859	0.0641	0.1176	0.0639	0.1545	0.3443	0.0328	-0.2239	0.4238	-0.4084	0.0659	0.0666	0.076	-0.0075	0.0108	0.1427	3.1778	28.4212	38.2753
13	0.8647	-0.4324	-0.1329	1.4531	0.0917	3.4557	0.0897	0.1568	0.1865	-0.0568	0.1135	0.2598	-0.3182	-0.5358	-0.2032	0.0388	0.041	0.0031	0.0322	0.0755	0.1419	-0.4971	25.9782	18.4221
14	5.4105	3.9182	-2.1398	4.8266	-1.1822	4.1152	0.1454	-0.3693	0.4621	0.338	0.0815	0.3167	-0.4077	-0.5711	-0.2269	0.0553	0.0395	0.108	0.0894	-0.007	0.0951	-5.208	27.2328	45.2829
15	18.3672	21.0455	-8.9072	24.5514	-10.729	6.731	0.3137	-0.546	-0.058	1.1061	-0.4555	-0.1195	-0.4354	-0.0293	0.1418	0.1884	0.004	0.0781	-0.0144	-0.0751	0.0459	3.6092	34.6659	50.0367
16	10.2747	1.7979	-2.7268	8.2512	-1.345	0.8186	-0.605	0.9573	-1.1586	-0.4119	0.4904	-0.6693	1.0093	0.2292	0.1147	0.2369	-0.0912	0.0862	-0.0015	-0.1109	0.1239	11.9974	39.0028	40.0697
17	3.6903	1.9996	-3.0846	7.1616	6.3585	13.1866	0.7085	0.0454	0.6621	0.3039	0.0497	-0.0825	-0.2788	0.1283	-0.7583	0.1151	0.0616	0.0481	-0.0925	0.0603	0.2043	3.163	35.3034	21.1557
18	1.6831	0.3345	-1.6743	1.8964	-3.6629	10.0533	0.2192	0.1034	0.3015	0.115	0.03	0.2986	-0.5836	-0.6039	-0.2492	-0.0096	0.0753	0.0411	0.0927	0.0672	0.139	-7.5637	27.8667	27.7863
19	12.8634	-5.5162	2.6885	4.2404	-0.9093	1.9774	0.0099	-0.5521	-0.6109	0.1493	0.094	0.5575	0.3429	-0.3089	-0.1039	0.0926	-0.1052	0.0569	0.0274	0.0937	0.0465	-3.1703	7.2223	41.0524
20	34.604	26.3273	-7.4259	35.139	-3.4319	3.1916	-0.2534	-2.5563	-0.4813	1.2059	-0.1828	-0.5088	0.339	0.3181	0.4363	0.1189	0.0655	-0.0351	0.2042	0.1314	-0.1033	13.5318	5.8248	46.532
21	11.7586	-23.3156	2.4508	48.2077	-8.7962	8.3527	-0.1069	-0.766	0.7803	0.6702	-0.1975	-1.1976	-0.0069	1.1757	0.3044	-0.111	-0.0023	-0.1111	0.4256	-0.0557	0.0335	53.2613	17.6353	30.8505
22	0.8295	-0.0198	0.6528	0.4294	-0.07	6.0321	0.1096	-0.0517	-0.0987	-0.1161	0.0007	-0.1365	0.4004	0.8167	-0.1103	-0.0156	0.0758	-0.0085	0.1739	0.0069	0.0494	45.727	13.1585	18.2986
23	7.681	-2.0687	8.3192	8.5762	-6.646	11.4878	-0.0299	-0.2029	0.4159	-0.2809	0.0185	-0.7858	-0.0207	1.0856	0.0114	-0.0919	0.0163	0.0184	0.369	0.0004	0.1212	55.1921	16.3969	21.2624
24	0.1443	-0.0083	-0.6562	0.9015	0.4021	3.1314	0.0775	-0.0707	-0.1145	-0.0359	-0.0852	-0.2232	0.7273	0.651	0.0077	0.0714	0.173	0.0013	0.1512	0.0208	0.0804	45.5256	6.6491	16.3624
25	13.3075	-1.6092	-1.7414	4.8747	-2.8288	27.912	-0.2105	-0.0955	-0.9463	-0.0358	0.2846	-0.3772	0.8882	1.3525	-0.0741	0.069	0.2441	-0.0045	0.2892	0.0665	0.2057	52.9903	4.7914	22.6017
26	1.2714	0.836	0.595	2.4765	0.4119	3.1549	0.0658	-0.177	-0.1624	0.0016	-0.0464	-0.1645	0.4789	0.4805	-0.0194	0.0611	0.098	-0.0335	0.0739	0.012	0.0608	39.3078	6.9489	25.7729
27	1.1927	-0.2778	0.5185	0.5106	0.0756	4.0514	0.013	0.0566	-0.0729	-0.0518	-0.043	-0.0415	0.2726	0.0545	0.03	0.0976	0.0114	-0.0242	0.0228	-0.0137	0.0748	28.8369	11.619	15.0946
28	2.241	-0.1594	0.4999	0.4634	0.053	1.538	0.1179	-0.0766	0.1973	-0.0869	-0.0104	-0.0459	-0.0381	0.2999	-0.1075	0.0344	-0.0287	-0.0334	0.0493	-0.0114	0.0612	32.44	21.5393	23.9628
29	1.1108	-0.1595	-0.0546	0.5908	-0.05	3.2052	0.0816	-0.0787	0.1243	0.0016	0.015	-0.0035	-0.1306	0.1225	-0.0966	0.0445	-0.0207	-0.0171	0.0556	-0.0275	0.0846	29.9782	21.1623	23.5743
30	2.8698	1.9719	0.0625	4.4094	0.7774	3.6191	0.0835	0.0454	-0.0417	0.0475	-0.0218	-0.1939	0.1765	0.4853	-0.0616	-0.0017	0.041	0.0336	0.1215	0.0162	0.0036	43.1943	16.1606	5.5907
31	3.1919	2.6136	-2.233	2.1858	-2.0848	2.9984	-0.0812	0.1743	0.0353	-0.3286	0.0113	-0.0277	0.3585	0.132	0.0699	0.1035	0.0604	0.0443	0.1056	-0.0134	0.021	39.5364	14.6537	-1.8733
32	4.1887	-1.8021	-0.6319	3.2441	0.2473	4.2595	0.2206	0.2953	-0.0714	-0.3251	-0.2606	0.2665	-0.0336	0.0967	0.04	0.0668	0.0016	0.0771	0.0512	0.0538	0.0048	41.7096	25.3632	-6.8979
33	0.5312	-0.3083	-0.6855	0.8451	-0.1661	3.661	0.1958	-0.1374	0.2604	-0.0621	-0.1113	-0.2041	-0.3846	0.6396	-0.0845	-0.0146	-0.1013	0.0485	0.1205	-0.004	0.087	45.9464	27.4413	10.6166
34	4.299	2.3178	4.0058	4.5022	-3.6109	13.9703	-0.5919	1.6737	0.6217	-0.3578	-0.2409	-0.4392	-0.1953	0.3332	0.8327	0.2032	0.0424	0.0725	0.1864	0.07	-0.0373	46.0409	26.4804	-14.9118
35	14.6966	-12.0332	-11.1002	18.564	11.7119	18.0767	0.2599	0.08	0.4351	-0.3827	0.0378	-0.3559	-0.3559	0.4307	-0.2977	0.1494	-0.0113	0.0051	-0.062	0.0859	-0.0234	36.9771	39.4355	-8.9666
36	7.4142	4.1333	4.5221	2.5237	2.5883	2.7787	0.1261	-0.9577	-0.6377	0.2009	0.5114	0.4895	0.8564	-1.2053	-0.6375	0.2344	0.0555	0.1064	0.0672	0.1009	0.0727	32.2465	38.7823	-0.4645
37	1.2284	-0.1857	-0.1215	1.4624	1.0559	3.4723	0.1896	-0.2015	0.4414	-0.1099	0.0534	-0.2726	-0.6079	0.8249	-0.243	0.0375	-0.1789	0.0513	0.2032	-0.0079	0.1416	48.3802	32.1747	14.6484
38	6.6101	3.914	-0.2552	10.8664	3.1192	4.1789	0.0511	0.1308	-0.2396	0.0688	-0.1206	-0.6235	0.4424	1.0688	0.0695	-0.0207	0.1275	0.0961	0.2531	0.041	0.0133	53.7269	13.7761	-0.0024
39	18.2172	1.0975	-2.2973	1.9852	1.2764	2.2504	-0.2166	0.5607	-0.8062	-0.2853	0.0451	-0.4108	0.7433	0.3607	0.1715	0.2071	0.136	0.1042	0.0549	-0.0433	-0.0172	42.8796	4.4602	-3.2939
40	30.9436	-17.3822	-4.3617	29.1316	3.9473	6.1806	-0.7713	1.8461	-0.8236	-1.3428	0.0896	0.3556	0.4965	0.0433	0.6817	0.211	-0.0299	-0.0295	0.219	-0.1032	-0.1445	31.2364	5.7438	-7.3663

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	8 - 16	28 - 36
2	X-RAY DIFFRACTION	2	A	A	17 - 49	37 - 69
3	X-RAY DIFFRACTION	3	A	A	50 - 56	70 - 76
4	X-RAY DIFFRACTION	4	A	A	57 - 62	77 - 82
5	X-RAY DIFFRACTION	5	A	A	63 - 78	83 - 98
6	X-RAY DIFFRACTION	6	A	A	79 - 106	99 - 126
7	X-RAY DIFFRACTION	7	A	A	107 - 131	127 - 151
8	X-RAY DIFFRACTION	8	A	A	132 - 155	152 - 175
9	X-RAY DIFFRACTION	9	A	A	156 - 188	176 - 208
10	X-RAY DIFFRACTION	10	A	A	189 - 219	209 - 239
11	X-RAY DIFFRACTION	11	A	A	220 - 229	240 - 249
12	X-RAY DIFFRACTION	12	A	A	230 - 243	250 - 263
13	X-RAY DIFFRACTION	13	A	A	244 - 270	264 - 290
14	X-RAY DIFFRACTION	14	A	A	271 - 287	291 - 307
15	X-RAY DIFFRACTION	15	A	A	288 - 297	308 - 317
16	X-RAY DIFFRACTION	16	A	A	298 - 303	318 - 323
17	X-RAY DIFFRACTION	17	A	A	304 - 311	324 - 331
18	X-RAY DIFFRACTION	18	A	A	312 - 332	332 - 352
19	X-RAY DIFFRACTION	19	A	A	333 - 349	353 - 369
20	X-RAY DIFFRACTION	20	A	A	350 - 355	370 - 375
21	X-RAY DIFFRACTION	21	B	B	8 - 13	28 - 33
22	X-RAY DIFFRACTION	22	B	B	14 - 29	34 - 49
23	X-RAY DIFFRACTION	23	B	B	30 - 36	50 - 56
24	X-RAY DIFFRACTION	24	B	B	37 - 55	57 - 75
25	X-RAY DIFFRACTION	25	B	B	56 - 61	76 - 81
26	X-RAY DIFFRACTION	26	B	B	62 - 86	82 - 106
27	X-RAY DIFFRACTION	27	B	B	87 - 116	107 - 136
28	X-RAY DIFFRACTION	28	B	B	117 - 158	137 - 178
29	X-RAY DIFFRACTION	29	B	B	159 - 188	179 - 208
30	X-RAY DIFFRACTION	30	B	B	189 - 202	209 - 222
31	X-RAY DIFFRACTION	31	B	B	203 - 221	223 - 241
32	X-RAY DIFFRACTION	32	B	B	222 - 239	242 - 259
33	X-RAY DIFFRACTION	33	B	B	240 - 285	260 - 305
34	X-RAY DIFFRACTION	34	B	B	286 - 291	306 - 311
35	X-RAY DIFFRACTION	35	B	B	292 - 297	312 - 317
36	X-RAY DIFFRACTION	36	B	B	298 - 305	318 - 325
37	X-RAY DIFFRACTION	37	B	B	306 - 328	326 - 348
38	X-RAY DIFFRACTION	38	B	B	329 - 341	349 - 361
39	X-RAY DIFFRACTION	39	B	B	342 - 349	362 - 369
40	X-RAY DIFFRACTION	40	B	B	350 - 355	370 - 375

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