PDB-2p9m: Crystal structure of conserved hypothetical protein MJ0922 from M...

ID or keywords:

Entry

Database: PDB / ID: 2p9m

Title

Crystal structure of conserved hypothetical protein MJ0922 from Methanocaldococcus jannaschii DSM 2661

Components

Hypothetical protein MJ0922

Hypothesis

Keywords

STRUCTURAL GENOMICS / UNKNOWN FUNCTION / MJ0922 /

Methanocaldococcus jannaschii / SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS / SECSG /

Protein Structure Initiative / RIKEN Structural Genomics/Proteomics Initiative / RSGI / PSI

Function / homology

CBS-domain / CBS-domain /

Domain in cystathionine beta-synthase and other proteins. /

CBS domain /

CBS domain / CBS domain profile. / Roll / Alpha Beta / Uncharacterized protein MJ0922

Function and homology information

Biological species

Methanocaldococcus jannaschii DSM 2661 (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.59 Å

Authors

Zhao, M. / Ebihara, A. / Shinkai, A. / Kuramitsu, S. / Yokoyama, S. / Zhu, J. / Swindell II, J.T. / Chen, L. / Fu, Z.-Q. / Charz, J. ...

Citation

Journal: To be Published
Title: Crystal structure of conserved hypothetical protein MJ0922 from Methanocaldococcus jannaschii DSM 2661
Authors: Zhao, M. / Ebihara, A. / Shinkai, A. / Kuramitsu, S. / Yokoyama, S. / Zhu, J. / Swindell II, J.T. / Chen, L. / Fu, Z.-Q. / Charz, J. / Rose, J.P. / Wang, B.-C.

History

Deposition	Mar 26, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 3, 2007	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Sep 13, 2017	Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / refine / software / Item: _refine.pdbx_method_to_determine_struct
Revision 1.4	Jan 24, 2018	Group: Database references / Structure summary / Category: audit_author / citation_author / Item: _audit_author.name / _citation_author.name

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2p9m.cif.gz	111.6 KB	Display	PDBx/mmCIF format
PDB format	pdb2p9m.ent.gz	96.9 KB	Display	PDB format
PDBx/mmJSON format	2p9m.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/p9/2p9m ftp://data.pdbj.org/pub/pdb/validation_reports/p9/2p9m	HTTPS FTP

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Related structure data

Similar structure data	2nyc-1 4ats-d 3nqr-2 1o50-1 5ks7-d 2ppx-1 6zn8-2 4gqw-1 3v68-d 5mwh-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) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: mja001000922.1

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#140 - Aug 2011 Rhomboid Protease GlpG similarity (4)

Deposited unit

A: Hypothetical protein MJ0922

B: Hypothetical protein MJ0922

C: Hypothetical protein MJ0922

D: Hypothetical protein MJ0922

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

1

A: Hypothetical protein MJ0922

B: Hypothetical protein MJ0922

defined by author&software
31.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Hypothetical protein MJ0922

D: Hypothetical protein MJ0922

defined by author&software
31.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	57.207, 94.688, 102.042
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Hypothetical protein MJ0922 / Hypothesis Mass: 15726.664 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methanocaldococcus jannaschii DSM 2661 (archaea) Species: Methanocaldococcus jannaschii / Strain: DSM 2661, JAL-1, JCM 10045, NBRC 100440 / Gene: MJ0922 / Plasmid: pET-21a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus(DE3)-RIL-X / References: UniProt: Q58332
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 22 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Hypothetical protein MJ0922 /

Hypothesis

Mass: 15726.664 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Methanocaldococcus jannaschii DSM 2661 (archaea)
Species: Methanocaldococcus jannaschii

/ Strain: DSM 2661, JAL-1, JCM 10045, NBRC 100440 / Gene: MJ0922 / Plasmid: pET-21a / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus(DE3)-RIL-X / References: UniProt: Q58332

#2: Water

ChemComp-HOH / water /

Water

Mass: 18.015 Da / Num. of mol.: 22 / 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: 2.23 Å³/Da / Density % sol: 46 %
Crystal grow	Temperature: 289 K / Method: microbatch under oil / pH: 6.3 Details: USING 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (27.49 mg/ml) AND SOLUTION CONTAINING 27.5% w/v PEG 4000, 0.1 M MES-SODIUM HYDROXIDE, pH 6.3, MICROBATCH UNDER OIL, temperature 289K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-BM / Wavelength: 0.9724 Å

Detector

Type: MARRESEARCH / Detector: CCD / Date: Jan 31, 2007 / Details: ROSENBAUM

Radiation

Monochromator: SI CHANNEL 220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9724 Å / Relative weight: 1

Reflection

Redundancy: 12.6 % / Av σ(I) over netI: 16.7 / Number: 224283 / R_merge(I) obs: 0.071 / Χ²: 1.65 / D res high: 2.6 Å / D res low: 50 Å / Num. obs: 17759 / % possible obs: 99.4

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	Chi squared	Redundancy
5.6	50	98.7	1	0.058	3.156	12.7
4.45	5.6	100	1	0.061	2.707	13.9
3.88	4.45	99.9	1	0.057	2.662	14
3.53	3.88	100	1	0.069	2.078	14
3.28	3.53	100	1	0.083	1.4	13.6
3.08	3.28	100	1	0.106	0.947	13.1
2.93	3.08	100	1	0.16	0.698	12.6
2.8	2.93	99.9	1	0.229	0.597	11.9
2.69	2.8	99.4	1	0.297	0.599	10.8
2.6	2.69	96.3	1	0.382	0.643	9.3

Reflection

Resolution: 2.59→50 Å / Num. obs: 17759 / % possible obs: 99.4 % / Redundancy: 12.6 % / R_sym value: 0.071 / Net I/σ(I): 16.7

Reflection shell

Resolution: 2.59→2.69 Å / Redundancy: 9.3 % / Mean I/σ(I) obs: 4.73 / R_sym value: 0.382 / % possible all: 96.3

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC	5.2.0019	refinement
PDB_EXTRACT	2	data extraction
HKL-2000		data collection
HKL-2000		data reduction
HKL-2000		data scaling
SGXPRO		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.59→36.47 Å / Cor.coef. F_o:F_c: 0.933 / Cor.coef. F_o:F_c free: 0.872 / SU B: 30.587 / SU ML: 0.301 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 1.003 / ESU R Free: 0.37 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29177	907	5.1 %	RANDOM
R_work	0.22193	-	-	-
obs	0.22544	17711	99.05 %	-

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: 25.576 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.37 Å²	0 Å²	0 Å²
2-	-	1.87 Å²	0 Å²
3-	-	-	-2.24 Å²

Refinement step

Cycle: LAST / Resolution: 2.59→36.47 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4021	0	0	22	4043

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	3865
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.435	1.967	5251
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.497	5	518
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.062	27.424	132
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.629	15	676
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	30.953	15	5
X-RAY DIFFRACTION	r_chiral_restr	0.097	0.2	696
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	2712
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.229	0.2	1737
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.31	0.2	2787
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.147	0.2	92
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	0.252	0.2	14
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.138	0.2	2
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	0.62	1.5	2641
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.945	2	4197
X-RAY DIFFRACTION	r_scbond_it	1.238	3	1350
X-RAY DIFFRACTION	r_scangle_it	1.899	4.5	1050
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.59→2.656 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.456	65	-
R_work	0.325	1094	-
obs	-	-	90.41 %

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	7.4875	-0.4398	4.6191	1.6503	-5.5031	19.6996	-0.2465	1.6411	-0.1697	-0.5447	-0.7943	0.0323	1.3448	-1.0394	1.0408	0.2634	0.1363	-0.0156	0.3613	0.0655	0.1285	1.7491	60.459	11.7344
2	2.5904	0.194	-1.8484	6.4927	-5.6536	11.4351	0.0775	-0.7095	0.2413	0.9037	0.1466	0.2944	-0.9648	-0.7925	-0.2241	0.359	0.1063	0.0485	0.3375	-0.0099	0.1607	2.9782	59.8173	37.8076
3	9.5939	-3.2016	3.033	5.764	2.0252	4.292	-0.0335	-0.4948	-0.342	0.2296	-0.178	0.2811	-0.7597	-0.4307	0.2114	0.3767	0.0407	-0.012	0.1327	0.0619	0.139	4.6443	52.6596	36.765
4	14.7154	-16.1182	6.3561	25.2308	-4.5737	8.4355	-0.1769	-0.2846	0.8319	-0.1827	0.0993	-0.9238	-0.7276	-0.185	0.0776	0.3686	-0.0497	0.0339	0.1517	-0.0031	0.2104	10.4689	59.9432	36.0384
5	7.5876	-6.9302	4.7219	12.4872	-0.0516	5.8876	-0.5708	-0.7551	0.9638	0.6521	-0.2653	-1.9057	-0.7159	1.5613	0.8361	0.3021	-0.0845	-0.0838	0.5221	0.1336	0.3197	15.2544	58.2848	44.6678
6	7.8204	-0.3834	4.568	8.1275	3.1574	29.732	-0.4422	-0.0485	0.6351	0.1424	-0.5725	-0.2297	-1.5262	0.1203	1.0148	0.2864	-0.0202	-0.0141	-0.0113	0.1029	0.2369	8.1331	65.8705	20.7883
7	26.9319	5.1001	0.4897	9.7846	8.4709	12.5872	0.6284	1.0207	2.5508	-0.9357	-0.5642	0.0128	-0.7092	1.5264	-0.0642	0.2213	-0.0355	0.1936	0.1067	0.2152	0.5083	13.4783	61.55	16.0485
8	3.261	-9.1161	-8.6656	60.2011	17.284	24.415	0.2574	-1.2424	-0.5578	0.6721	0.8344	-2.9919	0.8516	1.8018	-1.0918	0.3582	0.0008	-0.1625	0.3652	0.0086	0.4508	11.9768	58.6513	24.0281
9	7.1185	-5.2804	-3.4443	22.1888	14.2951	20.9543	0.3863	0.4357	0.0283	-0.4537	-0.8091	0.0994	-0.5935	-0.934	0.4228	0.1717	0.0516	-0.029	0.2043	0.0742	0.1435	3.318	59.1977	19.3329
10	4.3526	-0.3549	1.0175	6.6078	-7.2413	18.4868	-0.0541	0.0121	-0.3665	-0.1466	-0.5366	-0.7804	-0.1063	0.8945	0.5907	-0.0565	0.0753	0.0167	0.0778	0.001	0.3498	20.3931	38.8321	21.4758
11	3.0671	-1.8422	-2.5778	5.2423	1.967	3.4976	0.0951	-0.1372	-0.5355	-0.1456	0.1661	-0.0775	0.0026	0.2217	-0.2613	0.2403	-0.0319	-0.0444	0.2251	0.0745	0.2791	15.9894	37.3953	31.2739
12	9.2521	-9.4948	-6.5802	16.0845	5.7529	4.8376	-0.9346	-0.6829	-0.8624	1.7905	0.3131	1.1575	0.5921	-1.0081	0.6215	0.2478	0.0351	0.0062	0.2721	0.1466	0.3865	8.4353	33.0201	39.9167
13	5.6217	-3.6661	0.152	13.9048	-9.022	17.3226	0.4642	0.5785	-0.8432	-1.4115	-0.1767	0.1856	1.3595	-0.9779	-0.2875	0.1213	-0.0127	-0.0648	0.2163	-0.0583	0.2021	13.7725	36.9006	13.6305
14	24.893	0.0414	-27.7912	124.8647	74.6627	75.7265	-0.4567	-0.1145	0.0883	5.6384	-0.3827	4.0379	1.5339	-2.5535	0.8394	0.153	0.0686	0.0318	0.4897	0.335	0.8079	6.5526	41.2236	14.0824
15	27.8486	-24.0965	1.9226	37.5126	-19.8202	19.9172	0.7524	-0.4022	-0.8925	-0.4295	-0.3337	0.0719	-0.6495	-0.3303	-0.4187	-0.1365	-0.1302	-0.0031	0.2992	-0.0156	0.3613	16.31	37.9009	18.2349
16	9.5971	-12.4222	-0.4446	26.668	-7.2845	7.7386	0.5536	0.3255	-0.1054	-0.7641	-0.48	-0.8307	-0.0819	0.0678	-0.0736	0.112	-0.0473	-0.0062	0.2578	0.0523	0.3168	19.1256	44.1519	14.9381
17	12.345	-0.6845	-2.0822	0.2342	2.4969	29.2565	-0.4272	-0.5096	-0.4616	0.6803	-0.2276	-0.0248	0.7291	-1.5462	0.6548	0.1685	-0.0721	0.0397	0.1134	0.0138	0.1488	32.3644	28.3072	53.6314
18	2.5606	-1.8603	1.5977	5.4704	-10.0504	20.183	0.58	0.5235	-0.1272	-0.5108	-0.1067	0.8628	0.3243	-1.1489	-0.4733	0.1399	0.0069	-0.1021	0.3646	-0.1408	0.2237	32.5988	33.019	28.577
19	2.6009	1.9561	-0.2386	20.1111	-3.5829	1.9617	0.0164	0.2004	-0.1478	-0.2679	-0.163	0.874	0.4443	-0.7183	0.1465	0.1837	0.0117	0.0325	0.3675	-0.0289	0.216	33.4072	35.9618	29.566
20	12.114	12.6195	-1.0799	19.3478	-5.0296	2.5546	-0.2286	-0.1226	-0.2348	-0.5086	-0.2943	-1.0031	0.0141	-0.2178	0.5229	0.293	0.0801	0.0116	0.3044	-0.0385	0.1792	43.4062	37.4104	29.7622
21	0.6825	-1.2795	5.6572	14.0734	2.5429	61.7048	-0.7323	0.3111	-0.3875	-3.0205	0.8971	-1.4891	1.1917	-0.5771	-0.1648	0.5232	-0.151	0.31	0.5774	0.0351	0.6496	46.5508	41.942	19.5206
22	13.7331	1.5749	11.0134	5.7052	2.6296	13.5498	0.0516	0.8368	-0.0681	-0.7371	-0.4692	-1.6195	0.9368	1.0433	0.4176	0.2427	0.0416	0.11	0.2919	-0.1044	0.213	42.9261	31.2021	24.267
23	7.7919	1.4234	-0.6581	6.1643	10.2494	24.3827	0.0313	0.053	-1.0509	0.4086	-0.2237	-0.2859	1.0988	0.4313	0.1924	0.1859	0.0782	0.0129	0.0593	0.0494	0.2425	39.9506	26.2203	46.6938
24	30.3356	24.0891	8.8621	32.084	7.8627	19.6218	0.0512	-1.2136	-1.4522	-0.4726	-0.1869	-1.6088	-0.1944	0.0473	0.1357	0.2862	0.0504	0.1392	0.2996	-0.005	0.199	37.7053	27.7785	41.5603
25	2.8227	-1.5632	3.7783	21.1544	15.9045	21.0215	0.0912	-0.2667	-0.2194	-0.6001	-0.2043	0.4765	0.1916	-0.3725	0.1131	0.0833	-0.0468	0.0524	0.3066	0.0486	0.1681	33.1566	28.0198	40.6813
26	6.7295	-9.577	-17.5995	30.3583	8.4705	62.4522	0.6649	-0.1044	0.7943	0.4116	-0.4307	0.5463	-0.5157	-1.9052	-0.2342	0.136	-0.086	0.081	0.3269	-0.0938	0.2168	34.1249	38.7199	54.5092
27	0.023	-0.7281	0.1162	23.0754	-3.0309	6.6711	-0.702	-1.3173	-0.1314	1.6302	0.0765	-1.2493	0.7312	1.1935	0.6255	0.1829	0.0256	-0.1244	0.5628	0.1103	0.117	49.9293	44.398	60.0326
28	3.5888	2.2992	-2.4947	3.4315	3.178	13.3823	0.3814	-0.7074	0.934	-1.2302	-0.2945	-0.4374	-0.7391	0.9134	-0.0868	0.3925	0.0436	0.1496	0.2553	0.0613	0.2961	49.0917	58.3234	38.5772
29	18.1097	-6.1116	9.8026	8.3471	-4.6278	13.2601	0.7927	0.554	0.4238	-0.0331	-0.6188	-0.3614	-0.2492	0.4995	-0.1739	0.2029	0.1214	0.0403	0.1918	0.0771	0.1366	48.0618	51.3666	31.0856
30	3.6626	2.1073	2.5817	3.598	3.4884	11.347	0.0851	-0.5392	0.8219	0.57	-0.3004	0.5365	-0.7118	-0.0603	0.2154	0.3919	0.0852	0.0484	0.09	-0.0096	0.3679	42.8097	56.8763	39.4311
31	34.4604	11.9174	18.74	21.8987	11.0488	11.3648	0.4587	-2.3081	1.0451	-1.9188	-1.6945	0.7499	-1.7407	-3.6993	1.2358	0.3748	0.4724	0.1142	0.5285	0.0578	0.1431	36.5677	61.1806	32.0296
32	4.8307	-1.9714	-1.64	18.9153	-5.518	20.0211	0.4819	-0.6121	0.813	2.177	-0.7089	0.6279	-1.1136	-0.2182	0.2271	0.0995	0.0345	0.0908	0.2321	-0.1142	0.0355	43.8338	51.844	56.7742
33	25.2884	21.5747	19.5374	18.6292	16.1303	16.3932	0.0391	-1.1464	0.7213	-1.8819	0.7908	0.3119	-0.3334	-0.9907	-0.83	0.2949	0.1385	0.1363	0.521	0.2673	0.6482	35.8549	48.7538	54.3948
34	6.5166	-4.8102	4.1504	10.8837	-4.3864	26.2743	1.0245	-0.1123	-0.3516	1.4924	0.0308	0.6314	-0.3246	-0.3109	-1.0553	0.176	0.0115	0.0906	0.2603	-0.0054	0.2151	45.3455	52.6825	50.2745
35	5.7019	9.2547	-0.6418	30.3953	-2.675	7.1409	0.476	-0.703	-0.1163	0.4225	-0.5664	-1.1645	-0.1954	0.3838	0.0905	0.1384	0.08	-0.0044	0.3812	-0.0594	0.2257	48.5523	46.2132	52.6499

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	5 - 14	5 - 14
2	X-RAY DIFFRACTION	2	A	A	15 - 29	15 - 29
3	X-RAY DIFFRACTION	3	A	A	30 - 45	30 - 45
4	X-RAY DIFFRACTION	4	A	A	46 - 65	46 - 65
5	X-RAY DIFFRACTION	5	A	A	66 - 80	66 - 80
6	X-RAY DIFFRACTION	6	A	A	81 - 93	81 - 93
7	X-RAY DIFFRACTION	7	A	A	94 - 100	94 - 100
8	X-RAY DIFFRACTION	8	A	A	101 - 113	101 - 113
9	X-RAY DIFFRACTION	9	A	A	114 - 137	114 - 137
10	X-RAY DIFFRACTION	10	B	B	4 - 30	4 - 30
11	X-RAY DIFFRACTION	11	B	B	31 - 64	31 - 64
12	X-RAY DIFFRACTION	12	B	B	65 - 79	65 - 79
13	X-RAY DIFFRACTION	13	B	B	80 - 96	80 - 96
14	X-RAY DIFFRACTION	14	B	B	97 - 108	97 - 108
15	X-RAY DIFFRACTION	15	B	B	109 - 116	109 - 116
16	X-RAY DIFFRACTION	16	B	B	117 - 137	117 - 137
17	X-RAY DIFFRACTION	17	C	C	4 - 14	4 - 14
18	X-RAY DIFFRACTION	18	C	C	15 - 28	15 - 28
19	X-RAY DIFFRACTION	19	C	C	29 - 50	29 - 50
20	X-RAY DIFFRACTION	20	C	C	51 - 64	51 - 64
21	X-RAY DIFFRACTION	21	C	C	65 - 72	65 - 72
22	X-RAY DIFFRACTION	22	C	C	73 - 81	73 - 81
23	X-RAY DIFFRACTION	23	C	C	82 - 100	82 - 100
24	X-RAY DIFFRACTION	24	C	C	101 - 117	101 - 117
25	X-RAY DIFFRACTION	25	C	C	118 - 128	118 - 128
26	X-RAY DIFFRACTION	26	C	C	129 - 137	129 - 137
27	X-RAY DIFFRACTION	27	D	D	4 - 14	4 - 14
28	X-RAY DIFFRACTION	28	D	D	15 - 28	15 - 28
29	X-RAY DIFFRACTION	29	D	D	29 - 38	29 - 38
30	X-RAY DIFFRACTION	30	D	D	39 - 65	39 - 65
31	X-RAY DIFFRACTION	31	D	D	66 - 81	66 - 81
32	X-RAY DIFFRACTION	32	D	D	82 - 96	82 - 96
33	X-RAY DIFFRACTION	33	D	D	97 - 101	97 - 101
34	X-RAY DIFFRACTION	34	D	D	109 - 116	109 - 116
35	X-RAY DIFFRACTION	35	D	D	117 - 137	117 - 137

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