PDB-2h71: Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) S...

ID or keywords:

Entry

Database: PDB / ID: 2h71

Title

Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group

Components

Thioredoxin

Keywords

ELECTRON TRANSPORT / Alpha Beta

Function / homology

Function and homology information

DNA polymerase processivity factor activity /

protein-disulfide reductase activity / cell redox homeostasis /

cytosol /

cytoplasm
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.2 Å

Authors

Gavira, J.A. / Godoy-Ruiz, R. / Ibarra-Molero, B. / Sanchez-Ruiz, J.M.

Citation

Journal: To be Published
Title: Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group
Authors: Godoy-Ruiz, R. / Gavira, J.A. / Ibarra-Molero, B. / Sanchez-Ruiz, J.M.

History

Deposition	Jun 1, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 15, 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	May 2, 2012	Group: Structure summary
Revision 1.4	Oct 18, 2017	Group: Refinement description / Category: software / Item: _software.classification / _software.name
Revision 1.5	Oct 20, 2021	Group: Database references / Derived calculations / Category: database_2 / 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
Revision 1.6	Apr 3, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2h71.cif.gz	60.3 KB	Display	PDBx/mmCIF format
PDB format	pdb2h71.ent.gz	46.7 KB	Display	PDB format
PDBx/mmJSON format	2h71.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/h7/2h71 ftp://data.pdbj.org/pub/pdb/validation_reports/h7/2h71	HTTPS FTP

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Related structure data

Related structure data	1zzy 2fch 2fd3 2h6x 2h6y 2h70 2h72 2h73 2h74 2h75 2h76 2h7z 2trx
Similar structure data	2h6z-1 2h6x-1 2h73-1 2h76-1 5hr1-6 2h73-2 1b8l-d 2eio-2 2fch-4 5dbq-2 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#91 - Jul 2007 Thymine Dimers similarity (5) #233 - May 2019 S-Nitrosylated Hemoglobin similarity (4)

Deposited unit

A: Thioredoxin

B: Thioredoxin

hetero molecules

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

1

A: Thioredoxin

hetero molecules

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

2

B: Thioredoxin

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

Unit cell

Length a, b, c (Å)	102.949, 102.949, 41.835
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	169
Space group name H-M	P6₁

#1: Protein	Thioredoxin / Mass: 11701.413 Da / Num. of mol.: 2 / Mutation: D47E Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: trxA / Plasmid: pTk100 / Production host: Escherichia coli (E. coli) / Strain (production host): JF521 / References: UniProt: Q2M889, UniProt: P0AA25*PLUS
#2: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL / 2-Methyl-2,4-pentanediol Mass: 118.174 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 96 / 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: 2.69 Å³/Da / Density % sol: 53.33 %
Crystal grow	Temperature: 277 K / pH: 3.5 Details: 60% (v/v) MPD, Ac2Cu 1 mM, Hepes 15 mM pH 7.0, Counterdiffusion, temperature 277K, pH 3.50

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM16 / Wavelength: 1.07238
Detector	Type: MAR CCD 165 mm / Detector: CCD / Date: Feb 2, 2005
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.07238 Å / Relative weight: 1
Reflection	Resolution: 2.2→40 Å / Num. obs: 13367 / % possible obs: 98.9 % / Redundancy: 7.3 % / B_iso Wilson estimate: 49.98 Å² / R_merge(I) obs: 0.056 / Net I/σ(I): 28.8
Reflection shell	Resolution: 2.2→2.24 Å / Redundancy: 6.7 % / R_merge(I) obs: 0.044 / Mean I/σ(I) obs: 3.55 / % possible all: 97.1

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
SCALEPACK		data scaling
MOLREP		phasing
REFMAC	refmac_5.2.0019	refinement
PDB_EXTRACT	1.7	data extraction
MOSFLM		data reduction
HKL-2000		data scaling
Coot		model building
MolProbity		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2TRX_A

Resolution: 2.2→40 Å / Cor.coef. F_o:F_c: 0.95 / Cor.coef. F_o:F_c free: 0.911 / SU B: 17.861 / SU ML: 0.23 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.323 / ESU R Free: 0.261 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.291	1281	9.895 %	RANDOM
R_work	0.223	-	-	-
obs	0.23	12946	99 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK BULK SOLVENT

Displacement parameters

B_iso mean: 35.99 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-5.017 Å²	-2.508 Å²	0 Å²
2-	-	-5.017 Å²	0 Å²
3-	-	-	7.525 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	1626	0	16	96	1738

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	1743
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.573	1.991	2379
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	9.426	5	230
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.723	26.479	71
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.163	15	312
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	5.47	15	3
X-RAY DIFFRACTION	r_chiral_restr	0.08	0.2	274
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	1285
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.205	0.2	747
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.304	0.2	1156
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.166	0.2	102
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	0.211	0.2	22
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.118	0.2	5
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	0.463	1.5	1127
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.75	2	1758
X-RAY DIFFRACTION	r_scbond_it	1.369	3	702
X-RAY DIFFRACTION	r_scangle_it	1.926	4.5	611
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.2→2.26 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.383	93	-
R_work	0.305	861	-
obs	-	-	99.79 %

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	5.0732	-3.4569	6.3741	2.3571	-4.3466	8.0152	-0.3683	0.3512	1.9155	-0.9352	-0.0836	0.7408	-1.593	-0.3281	0.4518	0.2927	0.0139	-0.0623	0.2695	0.1237	0.2207	-31.3683	87.4121	14.532
2	4.0819	-1.1547	2.7931	6.8048	0.7044	2.2564	-0.0274	-0.0678	0.3446	0.5007	0.0288	0.5644	0.0888	-0.46	-0.0014	0.2151	0.0002	0.032	0.1776	0.0462	0.1016	-31.2163	84.402	26.127
3	5.974	-1.2677	0.6224	9.382	0.992	4.0868	0.0104	-0.495	0.0072	1.139	-0.051	0.9291	0.2055	-0.2122	0.0407	0.3332	-0.0169	0.1166	0.259	0.0673	0.183	-34.7588	78.7243	28.5175
4	4.6424	-0.9702	2.9069	6.3566	1.6269	2.6325	0.0391	-0.1477	-0.2805	0.4968	-0.0143	1.3153	0.3995	-0.5188	-0.0247	0.243	-0.0225	0.0632	0.2059	0.086	0.179	-34.9294	73.0833	25.0888
5	7.1368	1.1737	-1.1825	9.9218	-1.9172	1.256	0.2625	-0.3555	0.2297	0.0584	-0.2996	0.9096	0.0632	-0.1343	0.037	0.2101	0.0027	-0.043	0.1986	0.0649	0.1231	-32.9236	72.46	18.0442
6	2.5751	0.3544	0.7471	8.1459	1.2331	0.3752	0.0034	-0.1112	0.2696	0.4414	-0.0351	-0.5366	0.0217	-0.0063	0.0316	0.2238	0.0065	-0.0429	0.2048	0.0808	0.1323	-22.8167	81.885	23.6675
7	2.6854	0.0509	-0.8382	6.6773	0.3754	1.1636	-0.0725	-0.0625	0.6675	0.6014	-0.009	-1.4196	-0.0579	0.0457	0.0816	0.208	0.0123	-0.162	0.1575	0.0639	0.4456	-15.4404	89.6268	25.9164
8	8.3998	-1.484	1.9304	7.6391	-1.053	2.6649	0.0119	0.1232	0.7421	-0.1862	-0.0537	-1.472	-0.161	0.2974	0.0417	0.1765	0.0051	0.0485	0.184	0.1519	0.3828	-16.4724	88.7275	17.3721
9	6.6504	0.1599	1.699	10.5909	0.3072	3.9841	-0.0013	0.8081	0.5237	-1.4478	-0.1024	-0.0343	-0.1263	-0.2316	0.1036	0.4087	0.0257	0.0549	0.3282	0.1558	0.18	-23.91	84.5377	11.1361
10	1.321	0.9689	-0.0653	11.7681	-1.6278	3.9774	0.1412	0.7372	0.404	-1.4478	-0.1274	0.2599	-0.2827	0.0016	-0.0137	0.5576	0.0431	-0.0549	0.3849	0.091	0.1194	-28.5881	77.7807	7.8768
11	2.9686	3.1341	3.3993	5.5705	2.1874	4.7621	0.0474	0.2264	0.0377	-0.3455	-0.0435	0.1468	0.2436	0.0437	-0.0038	0.2647	0.015	-0.0287	0.252	0.0914	0.1149	-28.9671	79.1515	16.3893
12	1.6822	-0.1278	0.8446	6.9011	0.1773	2.9303	-0.0663	-0.5229	0.5901	1.2805	-0.0234	-0.477	-0.0506	-0.0274	0.0896	0.2843	0.0129	-0.0757	0.1786	0.03	0.115	-24.1843	86.7352	29.0961
13	2.9425	-0.8591	1.5775	4.9523	-1.8347	1.2479	-0.0254	-0.2964	0.0589	1.3123	-0.0256	-0.2185	0.2163	-0.0389	0.0511	0.5553	0.0072	-0.0513	0.2967	0.0332	0.0926	-25.7366	81.7608	33.7268
14	2.7867	1.1578	2.8423	10.0214	1.2861	5.0962	0.0106	-0.8306	0.2111	1.8241	0.0334	-0.5133	0.0547	0.042	-0.0439	0.5727	-0.0031	-0.1004	0.2992	0.097	0.1121	-23.5636	74.3496	33.0322
15	4.7571	1.3741	-1.3207	10.0882	-0.5586	0.3746	0.0002	-0.5179	-0.0156	1.2692	0.0158	-1.3565	0.1021	0.1366	-0.0159	0.3214	0.0246	-0.167	0.2047	0.0679	0.2804	-16.9661	78.305	28.1653
16	5.8975	1.5639	0.806	6.7454	-0.8546	0.2968	0.0451	0.3937	-0.6475	-0.2105	-0.0274	0.1085	0.3726	-0.1047	-0.0177	0.2539	0.0005	-0.0247	0.2257	0.0765	0.12	-28.2996	70.1704	20.2985
17	2.311	-2.7582	1.1216	7.2136	1.24	2.2463	0.0299	0.0299	-0.4557	0.2405	-0.0176	-0.5081	0.2309	-0.0486	-0.0123	0.2783	0.0126	-0.0522	0.2255	0.0846	0.1451	-22.4693	69.8874	22.234
18	2.5955	-0.2817	0.4531	8.3651	-2.388	0.7354	0.0452	0.1563	0.1441	-0.1501	-0.0373	-1.6111	0.1573	0.0524	-0.008	0.1309	0.0212	0.0544	0.1542	0.1078	0.3907	-13.0327	79.6516	17.8851
19	5.1478	1.1157	-0.9162	6.0022	2.3429	1.2852	0.0454	0.733	0.4829	-1.255	-0.0589	-0.9938	-0.3127	-0.1908	0.0136	0.3776	0.0353	0.2086	0.3065	0.134	0.2917	-16.0889	79.5238	10.2211
20	4.0946	-0.9188	1.1354	11.4915	-1.1781	5.1964	0.0914	0.5059	-0.4812	-1.0873	-0.073	-0.6865	0.4525	-0.0312	-0.0184	0.33	0.0491	0.0846	0.2585	0.0478	0.1227	-20.4176	71.176	11.5248
21	2.0971	0.2108	-1.0994	4.8877	-2.9656	2.2607	0.1637	-0.8971	-0.8302	2.3884	0.0533	-1.2021	0.2089	0.0403	-0.217	0.9962	-0.0084	-0.5207	0.3535	0.2853	0.7791	-14.3353	51.4626	37.0056
22	3.5939	-0.4852	0.0153	7.0221	0.2799	0.0115	0.2468	-0.0961	-0.675	0.7888	0.0473	-2.3113	0.1478	0.1855	-0.2941	0.378	0.059	-0.3756	0.1766	0.0772	1.1668	-5.7766	53.8456	26.2794
23	4.5651	-0.973	1.66	8.9442	-2.6351	1.1998	0.287	0.3526	-1.0258	0.1249	-0.0257	-2.0543	0.2794	0.2088	-0.2614	0.3306	0.0675	-0.2661	0.1437	0.0262	1.1124	-8.5124	47.9999	22.7662
24	2.2618	-0.4438	1.8289	12.5333	-0.9567	1.5836	0.3432	0.0927	-1.1836	0.3343	-0.0073	-1.3341	0.353	0.0873	-0.336	0.3529	0.0532	-0.2707	0.1206	0.0286	1.0001	-13.2095	43.4642	22.147
25	4.1575	-1.9612	0.1814	5.7985	-0.7916	0.9604	0.2446	-0.093	-1.1184	0.7358	0.0016	-0.7242	0.3712	-0.0071	-0.2462	0.4092	-0.0051	-0.2316	0.1491	0.144	0.5908	-19.6324	48.7451	26.3428
26	2.0018	2.7174	0.8649	10.9202	3.211	0.9493	0.1938	-0.1205	-0.5109	0.7767	-0.0266	-1.2453	0.1778	-0.0266	-0.1673	0.3366	0.0243	-0.2204	0.1783	0.1039	0.492	-14.56	59.7205	26.1231
27	5.6309	-0.8784	-1.4	7.581	0.8455	0.4011	0.0805	-0.386	-0.2912	1.1733	0.001	-1.6011	0.1652	0.1853	-0.0815	0.3913	0.0125	-0.2521	0.2136	0.1016	0.3992	-14.1999	68.9523	28.882
28	2.6909	0.7143	0.3845	4.5621	1.3666	0.4644	0.0792	-0.3067	-0.5555	1.4198	0.0449	-0.7148	0.2534	-0.0042	-0.1242	0.7354	-0.0161	-0.2076	0.335	0.1887	0.2934	-20.9935	62.4568	34.3362
29	4.159	-0.8236	2.2227	5.7299	-0.3432	3.0709	0.1414	-0.6814	-0.6404	2.0586	0.0447	-0.1932	0.0611	-0.1516	-0.1862	0.9917	-0.0523	-0.1864	0.3827	0.3223	0.4742	-23.6088	52.9268	37.3639
30	4.5214	-0.8798	0.2767	8.7109	-0.5482	3.5677	0.2627	-0.6075	-1.4318	1.6053	-0.0248	-0.2733	0.5972	-0.3295	-0.2378	0.6893	-0.0311	-0.2626	0.2344	0.2623	0.6375	-21.5429	47.4466	32.1899
31	4.8247	0.5876	0.9379	9.9028	-0.3161	1.1445	0.1812	0.0835	-0.4111	0.5052	0.0008	-2.1884	0.0943	0.199	-0.182	0.281	0.049	-0.2474	0.1685	0.0671	0.8386	-7.895	61.1355	24.8009
32	3.055	-0.4954	-0.0212	6.3284	-0.2499	0.0104	0.2351	0.4842	-0.5986	-0.5884	-0.0401	-1.6909	0.1947	0.0524	-0.195	0.2665	0.0755	0.0471	0.2041	-0.0228	0.7158	-10.2779	58.155	15.6888
33	0.89	0.2053	0.2003	1.9035	-0.3742	0.1403	0.2514	0.2913	-0.8487	-0.7027	-0.0794	-1.2058	0.4774	0.1737	-0.172	0.2532	0.0616	0.053	0.1668	-0.009	0.3436	-15.8474	60.7366	14.0098
34	3.3295	-0.1677	0.5224	6.9202	-1.3067	0.32	0.1116	0.2214	-0.4743	0.097	0.0034	-0.7618	0.2787	-0.186	-0.115	0.2271	0.016	-0.0838	0.159	0.0757	0.2463	-18.1976	64.5938	22.2697
35	3.81	0.0327	-0.2202	6.6353	-1.7067	1.4326	0.2207	0.067	-1.1418	0.2282	-0.0189	-0.4578	0.4356	-0.0776	-0.2019	0.2869	0.0104	-0.1596	0.1259	0.0693	0.4708	-21.1487	50.6853	21.9807
36	1.1967	-3.3462	0.8541	9.4376	-2.3577	0.621	0.3227	0.4124	-1.2023	-0.586	-0.0636	-0.7761	0.52	0.1066	-0.2592	0.3369	0.0394	-0.1718	0.138	-0.0247	0.725	-19.2588	45.1436	17.9908
37	0.3875	-1.6154	-0.1146	6.7403	0.478	0.0339	0.2345	0.2916	-0.8584	-0.3825	-0.0518	-0.1341	0.2144	-0.0054	-0.1826	0.2395	0.0097	-0.0938	0.1333	0.0346	0.2792	-24.6382	55.9282	18.6903
38	1.4654	-0.2581	-0.4994	4.8292	0.5607	0.24	0.1765	-0.6027	-0.6841	1.505	-0.0356	0.2893	0.1957	-0.1029	-0.1409	0.5564	-0.0405	-0.0283	0.3007	0.1831	0.2497	-27.6019	61.286	30.9039
39	4.2347	-1.9083	-0.8731	6.5677	2.3486	2.2753	0.1832	-0.4362	-0.5513	1.1614	-0.0397	0.6786	-0.0226	-0.313	-0.1436	0.4635	-0.0585	-0.0104	0.2343	0.1937	0.3658	-30.4864	56.2363	28.8279
40	5.5871	-4.7306	2.6043	10.4907	1.887	4.0046	0.2667	0.0172	-1.4447	0.5609	-0.1166	0.6222	0.6808	-0.0071	-0.1501	0.4113	-0.0702	-0.0827	0.1779	0.1794	0.6145	-30.9196	48.3259	25.931

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 - 4	2 - 4
2	X-RAY DIFFRACTION	2	A	A	5 - 9	5 - 9
3	X-RAY DIFFRACTION	3	A	A	10 - 15	10 - 15
4	X-RAY DIFFRACTION	4	A	A	16 - 19	16 - 19
5	X-RAY DIFFRACTION	5	A	A	20 - 23	20 - 23
6	X-RAY DIFFRACTION	6	A	A	24 - 28	24 - 28
7	X-RAY DIFFRACTION	7	A	A	29 - 35	29 - 35
8	X-RAY DIFFRACTION	8	A	A	36 - 40	36 - 40
9	X-RAY DIFFRACTION	9	A	A	41 - 47	41 - 47
10	X-RAY DIFFRACTION	10	A	A	48 - 52	48 - 52
11	X-RAY DIFFRACTION	11	A	A	53 - 56	53 - 56
12	X-RAY DIFFRACTION	12	A	A	57 - 62	57 - 62
13	X-RAY DIFFRACTION	13	A	A	63 - 67	63 - 67
14	X-RAY DIFFRACTION	14	A	A	68 - 71	68 - 71
15	X-RAY DIFFRACTION	15	A	A	72 - 79	72 - 79
16	X-RAY DIFFRACTION	16	A	A	80 - 83	80 - 83
17	X-RAY DIFFRACTION	17	A	A	84 - 90	84 - 90
18	X-RAY DIFFRACTION	18	A	A	91 - 95	91 - 95
19	X-RAY DIFFRACTION	19	A	A	96 - 99	96 - 99
20	X-RAY DIFFRACTION	20	A	A	100 - 108	100 - 108
21	X-RAY DIFFRACTION	21	B	B	2 - 5	2 - 5
22	X-RAY DIFFRACTION	22	B	B	6 - 10	6 - 10
23	X-RAY DIFFRACTION	23	B	B	11 - 15	11 - 15
24	X-RAY DIFFRACTION	24	B	B	16 - 20	16 - 20
25	X-RAY DIFFRACTION	25	B	B	21 - 24	21 - 24
26	X-RAY DIFFRACTION	26	B	B	25 - 28	25 - 28
27	X-RAY DIFFRACTION	27	B	B	29 - 36	29 - 36
28	X-RAY DIFFRACTION	28	B	B	37 - 42	37 - 42
29	X-RAY DIFFRACTION	29	B	B	43 - 49	43 - 49
30	X-RAY DIFFRACTION	30	B	B	50 - 56	50 - 56
31	X-RAY DIFFRACTION	31	B	B	57 - 64	57 - 64
32	X-RAY DIFFRACTION	32	B	B	65 - 69	65 - 69
33	X-RAY DIFFRACTION	33	B	B	70 - 73	70 - 73
34	X-RAY DIFFRACTION	34	B	B	74 - 77	74 - 77
35	X-RAY DIFFRACTION	35	B	B	78 - 82	78 - 82
36	X-RAY DIFFRACTION	36	B	B	83 - 86	83 - 86
37	X-RAY DIFFRACTION	37	B	B	87 - 91	87 - 91
38	X-RAY DIFFRACTION	38	B	B	92 - 96	92 - 96
39	X-RAY DIFFRACTION	39	B	B	97 - 103	97 - 103
40	X-RAY DIFFRACTION	40	B	B	104 - 108	104 - 108

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