PDB-3dgh: Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal...

ID or keywords:

Entry

Database: PDB / ID: 3dgh

Title

Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation

Components

Thioredoxin reductase 1, mitochondrial

Keywords

OXIDOREDUCTASE / rossmann /

flavoprotein / Alternative initiation / FAD /

Mitochondrion /

NADP / Redox-active center / Transit peptide

Function / homology

Function and homology information

: / Detoxification of Reactive Oxygen Species / TP53 Regulates Metabolic Genes / Interconversion of nucleotide di- and triphosphates /

thioredoxin-disulfide reductase / thioredoxin-disulfide reductase (NADPH) activity /

antioxidant activity / cell redox homeostasis / determination of adult lifespan /

flavin adenine dinucleotide binding ...
Similarity search - Function

Biological species

Drosophila melanogaster (fruit fly)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.745 Å

Authors

Eckenroth, B.E. / Hondal, R.J. / Everse, S.J.

Citation

Journal: To be Published
Title: Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation
Authors: Eckenroth, B.E. / Hondal, R.J. / Everse, S.J.

History

Deposition	Jun 13, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 16, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 25, 2017	Group: Refinement description / Category: software
Revision 1.3	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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3dgh.cif.gz	204 KB	Display	PDBx/mmCIF format
PDB format	pdb3dgh.ent.gz	171.8 KB	Display	PDB format
PDBx/mmJSON format	3dgh.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/dg/3dgh ftp://data.pdbj.org/pub/pdb/validation_reports/dg/3dgh	HTTPS FTP

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Related structure data

Related structure data	2nvk
Similar structure data	6cin-3 6xnx-d 6ciq-2 6xny-d 0063 2ijd-1 6cin-2 5b43-d 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	#154 - Oct 2012 Citric Acid Cycle similarity (9) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (8) #82 - Oct 2006 Cytochrome p450 similarity (2) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: Thioredoxin reductase 1, mitochondrial

B: Thioredoxin reductase 1, mitochondrial

hetero molecules

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

1

A: Thioredoxin reductase 1, mitochondrial

B: Thioredoxin reductase 1, mitochondrial

hetero molecules

A: Thioredoxin reductase 1, mitochondrial

B: Thioredoxin reductase 1, mitochondrial

hetero molecules

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

2

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	135.755, 135.755, 132.527
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	96
Space group name H-M	P4₃2₁2

#1: Protein	Thioredoxin reductase 1, mitochondrial / / TrxR-1 Mass: 52538.883 Da / Num. of mol.: 2 / Fragment: UNP residues 112-588 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: Trxr-1, GR, CG2151 / Plasmid: pTYB1 / Production host: Escherichia coli (E. coli) / Strain (production host): ER2566 References: UniProt: P91938, thioredoxin-disulfide reductase
#2: Chemical	ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE / Flavin adenine dinucleotide Mass: 785.550 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Comment: FAD*YM
#3: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 644 / 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: 2.94 Å³/Da / Density % sol: 58.14 %
Crystal grow	Temperature: 303 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 0.1 M Succinate, 1.0 M Li2SO4, 0.6 M (NH4)2SO4, pH 5.5, vapor diffusion, hanging drop, temperature 303K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 28, 2008 / Details: mirrors
Radiation	Monochromator: DCM pair, flat Si crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 1.745→32 Å / Num. obs: 125246 / % possible obs: 100 % / Redundancy: 8 % / R_merge(I) obs: 0.085 / Χ²: 1.234 / Net I/σ(I): 11.6
Reflection shell	Resolution: 1.745→1.81 Å / Redundancy: 7.7 % / R_merge(I) obs: 0.54 / Mean I/σ(I) obs: 4.02 / Num. unique all: 12401 / Χ²: 1.142 / % possible all: 100

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	2.25 Å	11.97 Å
Translation	2.25 Å	11.97 Å

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing
REFMAC		refinement
PDB_EXTRACT	3.006	data extraction
Locally	modified Blu-Ice GUI interface to EPICS control	data collection

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.745→29.77 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.939 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.855 / SU B: 3.932 / SU ML: 0.069 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.115 / ESU R Free: 0.108 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.224	12558	10 %	RANDOM
R_work	0.2	-	-	-
obs	0.203	125158	99.85 %	-

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 max: 35.02 Å² / B_iso mean: 6.957 Å² / B_iso min: 2 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.05 Å²	0 Å²	0 Å²
2-	-	-0.05 Å²	0 Å²
3-	-	-	0.1 Å²

Refinement step

Cycle: LAST / Resolution: 1.745→29.77 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7288	0	126	644	8058

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.022	7568
X-RAY DIFFRACTION	r_angle_refined_deg	1.484	1.989	10297
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.894	5	948
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.111	24.11	309
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.851	15	1248
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.082	15	42
X-RAY DIFFRACTION	r_chiral_restr	0.116	0.2	1166
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	5628
X-RAY DIFFRACTION	r_nbd_refined	0.214	0.2	3524
X-RAY DIFFRACTION	r_nbtor_refined	0.306	0.2	5179
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.099	0.2	468
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.189	0.2	68
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.207	0.2	14
X-RAY DIFFRACTION	r_mcbond_it	0.598	1.5	4842
X-RAY DIFFRACTION	r_mcangle_it	0.975	2	7555
X-RAY DIFFRACTION	r_scbond_it	1.774	3	3212
X-RAY DIFFRACTION	r_scangle_it	2.701	4.5	2742

LS refinement shell

Resolution: 1.745→1.791 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.28	899	-
R_work	0.236	8133	-
all	-	9032	-
obs	-	-	98.52 %

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	1.4288	1.1412	0.4202	4.6254	-1.0508	1.8242	-0.0779	-0.0675	-0.048	0.1302	-0.0102	-0.1518	-0.3753	0.0618	0.0881	0.0585	-0.0466	-0.0076	-0.0546	-0.0085	-0.018	46.616	40.325	-12.93
2	2.7655	0.8716	2.8288	1.2951	-0.1039	3.8647	-0.0195	0.0003	0.0074	0.1383	0.0233	0.0641	-0.5619	-0.0157	-0.0039	0.088	-0.0346	0.0106	-0.0783	-0.0116	-0.0223	42.867	38.714	-11.32
3	0.5739	0.2709	-0.4078	1.0161	-0.4196	0.7859	-0.0283	-0.0795	0.0324	-0.1609	-0.0267	-0.0604	0.0627	-0.0322	0.0551	0.0104	-0.0004	0.0144	-0.0384	-0.0024	-0.0047	31.946	24.611	-20.814
4	0.6088	0.6199	-0.4984	1.6482	-0.7839	0.7391	-0.0306	0.0188	0.0239	-0.0944	-0.025	-0.0316	0.1184	-0.1106	0.0555	0.0279	-0.0347	0.0173	-0.0295	-0.0137	-0.0136	21.111	1.287	-10.658
5	0.8044	1.5485	0.5149	3.5938	1.2993	0.8239	0.0084	-0.0115	0.0042	-0.0687	-0.0001	-0.0755	0.0241	-0.0502	-0.0083	-0.0241	-0.0054	0.014	-0.0192	0.0003	0.0025	22.574	21.037	-15.032
6	1.579	0.9956	-1.0359	0.9877	-0.6099	1.1352	-0.0322	-0.0497	0.1111	0.0161	-0.0375	0.0089	-0.3388	0.0119	0.0698	0.0577	-0.0043	0.0243	-0.0832	-0.0018	-0.0153	40.96	43.226	-17.879
7	0.2303	-0.1538	-0.3138	0.3989	-0.3255	1.3936	0.06	0.0384	-0.0323	0.0359	-0.1291	-0.1246	-0.21	0.1221	0.0691	0.0281	-0.0501	-0.0078	-0.0474	0.012	0.0179	46.82	39.064	-19.627
8	1.6744	-0.4604	-0.5509	0.9875	0.5141	1.3539	-0.0244	-0.0263	0.0375	-0.1642	0.0157	0.0026	0.0164	-0.0272	0.0087	0.0317	-0.0028	0.0049	-0.046	0.0036	-0.0307	31.978	20.12	-33.205
9	0.8762	-0.2834	-0.4045	0.3676	0.0369	0.7977	0.0179	0.0294	0.0325	-0.0479	-0.0323	-0.0433	0.1493	-0.0186	0.0144	0.0296	-0.0049	0.016	-0.0433	-0.0032	-0.0108	32.227	9.837	-26.285
10	1.2532	-0.4463	-0.4344	0.915	0.0101	1.4978	-0.0029	0.0775	0.0215	-0.1927	-0.0302	-0.0151	0.1246	-0.0061	0.0332	0.03	0.0058	0.0379	-0.0511	-0.0139	-0.0361	34.725	6.196	-29.33
11	2.7199	0.4374	0.7456	0.2995	0.1495	1.0325	-0.0337	0.0531	-0.0804	-0.1064	-0.0384	-0.0903	0.1481	0.0499	0.0722	0.0488	0.0305	0.045	-0.0613	0.0059	-0.0031	41.309	0.826	-22.894
12	2.509	-1.914	0.328	3.6361	-1.1883	2.3155	-0.0098	0.1192	-0.1456	-0.4383	0.0272	0.0586	0.2273	-0.1877	-0.0175	0.0682	-0.0076	-0.0065	-0.0468	-0.0295	-0.1004	32.159	10.075	-41.219
13	0.0869	0.2591	0.16	1.4034	0.4068	1.1566	0.0441	-0.0029	0.0046	-0.2054	-0.0253	-0.1657	0.1337	0.0414	-0.0189	0.0676	0.0253	0.0366	-0.0505	-0.0097	-0.036	37.397	11.849	-37.895
14	0.8575	0.1297	-0.1447	1.707	-0.5429	1.8372	-0.0355	-0.0052	-0.1022	-0.0152	-0.0549	-0.3833	0.0022	0.2263	0.0905	-0.0844	-0.0262	0.0241	-0.0227	0.0124	0.0487	53.517	29.728	-19.833
15	0.7228	0.8514	0.716	10.4178	1.2632	2.1902	0.1189	-0.0654	-0.1613	0.5687	-0.3421	-0.9289	-0.0855	0.231	0.2233	-0.0533	-0.0677	-0.0695	-0.0269	0.0626	0.0491	54.72	27.38	-6.234
16	1.164	-0.2128	0.4031	0.288	-0.0231	0.6041	-0.0786	0.0258	-0.0045	-0.0839	-0.0059	-0.0608	0.0976	0.1052	0.0845	-0.0142	0.0443	0.0376	-0.0248	0.0211	0.0221	52.655	2.319	-13.751
17	6.4261	0.6731	1.1248	0.3905	-0.1749	0.5635	0.0213	-0.0765	-0.0294	-0.008	-0.0686	-0.0501	0.1994	0.0252	0.0473	0.0952	0.0069	0.0331	-0.1068	-0.0003	-0.0331	33.218	-7.962	-8.614
18	2.2363	0.5308	0.6928	0.5314	0.1625	0.6069	-0.0206	0.0001	0.0279	-0.0462	-0.0232	-0.0992	0.2178	0.1368	0.0439	-0.0084	0.0719	0.0327	-0.007	0.0334	0.0095	53.318	-1.369	-8.706
19	0.6683	0.1724	-0.0117	0.1923	-0.1666	1.0197	-0.0434	-0.0142	0.021	-0.0218	-0.0064	-0.035	0.1796	0.0975	0.0497	0.0154	0.045	0.0177	-0.0343	0.0091	0.0002	46.544	1.894	-0.844
20	6.1384	-1.3249	-8.534	3.8987	1.0292	12.0474	-0.2901	-0.4538	0.216	0.2556	0.1762	-0.4431	0.7607	0.3642	0.1138	0.048	0.1088	-0.0152	-0.0097	0.0069	0.0226	54.258	-11.1	-6.586
21	0.5555	1.2681	-0.5909	3.2236	-0.6371	2.171	0.0699	-0.036	0.0066	-0.0005	-0.123	-0.2294	0.0222	0.0147	0.053	-0.0164	-0.0154	0.0169	-0.0425	0.0137	0.0337	40.808	25.515	-18.793
22	3.1153	0.0932	-0.5748	1.7075	-0.0076	1.9084	-0.2081	-0.103	-0.3645	-0.0409	0.0081	-0.172	0.6456	0.1689	0.1999	0.2829	0.1908	0.1126	-0.1316	0.0924	0.0085	47.456	-25.798	11.771
23	1.5113	-0.225	-0.1163	1.3657	-0.3045	0.8776	-0.1062	-0.05	-0.0715	0.058	0.0051	-0.0159	0.3227	0.0423	0.101	0.2019	-0.0172	0.0519	-0.1005	0.0139	-0.0631	27.388	-16.864	11.597
24	0.4067	-0.4215	0.4185	1.2198	-0.7523	1.6048	-0.0848	-0.031	0.0269	0.0969	0.0072	0.0563	0.0996	-0.2185	0.0777	0.0096	-0.0458	0.0254	-0.0134	-0.0171	-0.0162	17.693	4.007	-5.888
25	13.8569	-9.1646	-1.2208	7.0331	0.3937	0.8162	-0.1667	0.0576	-0.4666	0.3053	0.0881	0.34	0.4219	-0.129	0.0787	0.1727	-0.065	0.0368	-0.1136	-0.0079	-0.0636	24.277	-17.046	0.382
26	1.9019	0.2734	-4.3113	7.1378	-0.2021	15.0282	0.0853	-0.3468	-0.7529	0.1376	-0.4483	-0.9513	0.2894	0.3905	0.363	0.2123	0.0591	0.0588	-0.1518	0.0881	0.1055	41.349	-30.943	15.577
27	1.4638	0.169	-0.0019	0.2102	-0.2134	0.2384	-0.0526	-0.0955	-0.1253	0.0736	-0.0028	0.0475	0.4223	-0.0464	0.0553	0.1472	-0.0167	0.0565	-0.0507	0.0426	-0.0707	25.01	-13.737	20.747
28	9.04	-8.4269	17.0435	23.1133	0	0	-0.2316	0.0745	-0.7618	1.0134	-0.3348	1.1499	0.5117	-0.3659	0.5663	0.0187	-0.0914	0.1066	-0.0537	0.012	0.0026	11.962	-8.485	10.719
29	1.4541	-0.389	0.3603	0.553	0.195	1.5414	0.0107	0.0137	-0.068	0.0309	-0.0028	0.0016	0.2622	-0.076	-0.008	0.0691	-0.0317	0.0428	-0.0529	0.0084	-0.0317	20.402	-0.579	12.042
30	1.4617	0.2581	-0.0806	0.0759	-0.0558	0.9016	0.0289	-0.0836	0.0693	0.1124	-0.0292	0.0005	0.0798	-0.0343	0.0003	0.0524	-0.0006	0.0338	-0.0305	-0.0089	-0.0391	24.928	8.239	17.369
31	3.5752	2.8948	0.0801	5.0784	-0.1655	2.4691	0.0259	-0.0367	0.0558	0.301	0.0829	0.237	0.2293	-0.3178	-0.1089	0.0601	-0.0663	0.1153	-0.0015	0.0219	-0.107	10.923	-3.371	25.578
32	4.9799	3.1513	3.1668	5.8415	4.9216	8.0253	0.2361	-0.2893	0.2045	0.3189	-0.157	0.256	-0.0949	-0.3988	-0.079	0.0799	-0.0585	0.1416	-0.0138	0.0148	-0.0952	11.158	1.698	27.823
33	3.671	-2.1313	0.665	1.2478	-0.4356	0.3551	-0.037	-0.4067	-0.211	0.1054	0.1055	0.1958	0.3194	-0.123	-0.0685	0.1879	0.0064	0.0487	-0.0299	0.0616	-0.0698	27.328	-12.855	22.802
34	4.1839	-0.3111	-0.04	2.7425	-1.2816	3.1663	-0.1707	-0.0577	-0.3003	0.2955	0.0334	-0.0965	0.2992	0.0576	0.1372	0.162	0.1159	-0.0051	-0.0116	0.0472	-0.0676	45.332	-15.645	28.173
35	1.8266	-0.7587	-0.0168	2.2017	-1.0897	1.8041	-0.1353	-0.1771	0.0071	0.0521	-0.0712	-0.2531	0.2643	0.1656	0.2066	0.0808	0.1045	0.0044	-0.0339	0.0694	-0.0312	49.561	-11.823	16.117
36	1.9048	1.0733	0.6728	1.183	0.4691	0.8159	-0.0224	-0.13	-0.1385	0.2428	0.032	-0.0145	0.1313	0.0032	-0.0097	0.0513	0.0349	-0.0115	-0.0337	-0.0024	-0.0336	37.767	8.372	14.234
37	2.7592	-0.3964	2.1391	0.6408	-0.0869	3.0699	-0.2118	-0.0183	0.3743	-0.0418	0.0567	-0.1204	-0.1585	0.1501	0.155	-0.0391	0.0006	-0.0284	-0.0192	-0.0373	0.029	42.134	20.426	13.243
38	1.4369	-0.5085	0.8464	0.4338	-0.2168	0.9522	-0.0101	0.0411	0.0863	0.023	0.0086	-0.0706	0.0151	0.0717	0.0016	-0.0215	-0.0082	-0.0027	-0.0107	-0.011	-0.0015	35.842	17.634	5.517
39	1.1858	0.0431	0.0281	0.3655	-0.1945	0.5218	-0.0513	-0.0433	0.0563	-0.0121	-0.0142	-0.0553	0.0924	0.0592	0.0656	-0.006	0.0265	-0.0108	-0.0219	0.0008	-0.0036	44.282	9.638	6.088
40	0.4694	-0.0888	-0.1307	0.1637	-0.4545	1.5989	-0.0643	-0.0392	0.06	0.017	0.0212	0.0111	-0.0409	0.0063	0.0432	-0.0143	0.0096	-0.0052	-0.0283	0.0029	0.0153	43.445	16.596	-2.303
41	0.1061	-0.3701	-0.9089	3.1252	0.7801	10.9056	0.1101	0.1041	0.1822	0.025	0.3071	-0.2116	-0.2018	0.0817	-0.4173	-0.0591	0.0045	-0.0159	-0.0493	-0.0205	0.0842	41.902	24.35	9.232
42	2.9804	-5.1197	1.4775	8.8793	-2.2618	1.6339	-0.1188	0.0323	0.0395	-0.0023	0.083	0.2836	0.3943	-0.0328	0.0358	0.1818	0.0395	0.0515	-0.071	0.0337	-0.0279	35.073	-13.554	14.103

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	7 - 25	1 - 19
2	X-RAY DIFFRACTION	2	A	A	26 - 42	20 - 36
3	X-RAY DIFFRACTION	3	A	A	43 - 67	37 - 61
4	X-RAY DIFFRACTION	4	A	A	68 - 89	62 - 83
5	X-RAY DIFFRACTION	5	A	A	90 - 116	84 - 110
6	X-RAY DIFFRACTION	6	A	A	117 - 146	111 - 140
7	X-RAY DIFFRACTION	7	A	A	147 - 162	141 - 156
8	X-RAY DIFFRACTION	8	A	A	163 - 185	157 - 179
9	X-RAY DIFFRACTION	9	A	A	186 - 207	180 - 201
10	X-RAY DIFFRACTION	10	A	A	208 - 221	202 - 215
11	X-RAY DIFFRACTION	11	A	A	222 - 244	216 - 238
12	X-RAY DIFFRACTION	12	A	A	245 - 260	239 - 254
13	X-RAY DIFFRACTION	13	A	A	261 - 292	255 - 286
14	X-RAY DIFFRACTION	14	A	A	293 - 342	287 - 336
15	X-RAY DIFFRACTION	15	A	A	343 - 363	337 - 357
16	X-RAY DIFFRACTION	16	A	A	364 - 395	358 - 389
17	X-RAY DIFFRACTION	17	A	A	396 - 410	390 - 404
18	X-RAY DIFFRACTION	18	A	A	411 - 432	405 - 426
19	X-RAY DIFFRACTION	19	A	A	433 - 472	427 - 466
20	X-RAY DIFFRACTION	20	A	A	473 - 483	467 - 477
21	X-RAY DIFFRACTION	21	A	C	500
22	X-RAY DIFFRACTION	22	B	B	7 - 39	1 - 33
23	X-RAY DIFFRACTION	23	B	B	40 - 66	34 - 60
24	X-RAY DIFFRACTION	24	B	B	67 - 94	61 - 88
25	X-RAY DIFFRACTION	25	B	B	95 - 115	89 - 109
26	X-RAY DIFFRACTION	26	B	B	116 - 153	110 - 147
27	X-RAY DIFFRACTION	27	B	B	154 - 182	148 - 176
28	X-RAY DIFFRACTION	28	B	B	183 - 190	177 - 184
29	X-RAY DIFFRACTION	29	B	B	191 - 212	185 - 206
30	X-RAY DIFFRACTION	30	B	B	213 - 245	207 - 239
31	X-RAY DIFFRACTION	31	B	B	246 - 259	240 - 253
32	X-RAY DIFFRACTION	32	B	B	260 - 278	254 - 272
33	X-RAY DIFFRACTION	33	B	B	279 - 295	273 - 289
34	X-RAY DIFFRACTION	34	B	B	296 - 313	290 - 307
35	X-RAY DIFFRACTION	35	B	B	314 - 363	308 - 357
36	X-RAY DIFFRACTION	36	B	B	364 - 385	358 - 379
37	X-RAY DIFFRACTION	37	B	B	386 - 399	380 - 393
38	X-RAY DIFFRACTION	38	B	B	400 - 426	394 - 420
39	X-RAY DIFFRACTION	39	B	B	427 - 455	421 - 449
40	X-RAY DIFFRACTION	40	B	B	456 - 472	450 - 466
41	X-RAY DIFFRACTION	41	B	B	473 - 479	467 - 473
42	X-RAY DIFFRACTION	42	B	F	500

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