PDB-8oiw: Crystal structure of the cysteine-rich Gallus gallus urate oxidas...

ID or keywords:

Entry

Database: PDB / ID: 8oiw

Title

Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21)

Components

(Uricase) x 2

Keywords

OXIDOREDUCTASE / COFACTOR-FREE OXIDASE / INHIBITOR / DIOXYGEN BINDING / CYSTEINE

Function / homology

factor-independent urate hydroxylase / Uricase / Uricase / purine nucleobase metabolic process / peroxisome / oxidoreductase activity / 8-AZAXANTHINE / OXYGEN MOLECULE / Uricase

Function and homology information

Biological species

Gallus gallus (chicken)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.89 Å

Authors

Di Palma, M. / Chegkazi, M. / Bui, S. / Mori, G. / Percudani, R. / Steiner, R.A.

Funding support

United Kingdom,

Italy, 2items

Citation

Journal: Mol.Biol.Evol. / Year: 2023
Title: Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Authors: Mori, G. / Liuzzi, A. / Ronda, L. / Di Palma, M. / Chegkazi, M.S. / Bui, S. / Garcia-Maya, M. / Ragazzini, J. / Malatesta, M. / Della Monica, E. / Rivetti, C. / Antin, P.B. / Bettati, S. / ...

History

Deposition	Mar 23, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 17, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	8oiw.cif.gz	486.4 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oi/8oiw ftp://data.pdbj.org/pub/pdb/validation_reports/oi/8oiw	HTTPS FTP

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Related structure data

Related structure data	8ofkC 8oh8C 8oihC C: citing same article (ref.)
Similar structure data	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	#117 - Sep 2009 Xanthine Oxidoreductase similarity (3) #263 - Nov 2021 Acetohydroxyacid Synthase similarity (1) #41 - May 2003 Hemoglobin similarity (1) #159 - Mar 2013 Erythrocruorin similarity (1) #186 - Jun 2015 Receptor for Advanced Glycation End Products similarity (1) #206 - Feb 2017 Globin Evolution similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1)

Deposited unit

AAA: Uricase

BBB: Uricase

CCC: Uricase

DDD: Uricase

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	101.775, 124.859, 128.265
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	AAA
2	1	BBB
3	2	AAA
4	2	CCC
5	3	AAA
6	3	DDD
7	4	BBB
8	4	CCC
9	5	BBB
10	5	DDD
11	6	CCC
12	6	DDD

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	VAL	VAL	ALA	ALA	AAA	A	4 - 299	27 - 322
2	1	1	VAL	VAL	ALA	ALA	BBB	B	4 - 299	27 - 322
3	2	2	VAL	VAL	ALA	ALA	AAA	A	4 - 299	27 - 322
4	2	2	VAL	VAL	ALA	ALA	CCC	C	4 - 299	27 - 322
5	3	3	VAL	VAL	GLN	GLN	AAA	A	4 - 300	27 - 323
6	3	3	VAL	VAL	GLN	GLN	DDD	D	4 - 300	27 - 323
7	4	4	GLN	GLN	ALA	ALA	BBB	B	3 - 299	26 - 322
8	4	4	GLN	GLN	ALA	ALA	CCC	C	3 - 299	26 - 322
9	5	5	VAL	VAL	ALA	ALA	BBB	B	4 - 299	27 - 322
10	5	5	VAL	VAL	ALA	ALA	DDD	D	4 - 299	27 - 322
11	6	6	VAL	VAL	ALA	ALA	CCC	C	4 - 299	27 - 322
12	6	6	VAL	VAL	ALA	ALA	DDD	D	4 - 299	27 - 322

NCS ensembles :

ID	Details
1	Local NCS retraints between domains: 1 2
2	Local NCS retraints between domains: 3 4
3	Local NCS retraints between domains: 5 6
4	Local NCS retraints between domains: 7 8
5	Local NCS retraints between domains: 9 10
6	Local NCS retraints between domains: 11 12

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Protein , 2 types, 4 molecules AAABBBCCCDDD

#1: Protein	Uricase / Urate oxidase Mass: 39189.883 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: LOC101747367 / Production host: Escherichia coli (E. coli) References: UniProt: A0A8V0ZED1, factor-independent urate hydroxylase
#2: Protein	Uricase / Urate oxidase Mass: 39205.883 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: LOC101747367 / Production host: Escherichia coli (E. coli) References: UniProt: A0A8V0ZED1, factor-independent urate hydroxylase

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Non-polymers , 5 types, 629 molecules

#3: Chemical	ChemComp-AZA / 8-AZAXANTHINE Mass: 153.099 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₃N₅O₂ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-OXY / OXYGEN MOLECULE Mass: 31.999 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: O₂ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C₂H₆O₂
#6: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Cl
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 597 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.6 Å³/Da / Density % sol: 52.67 %
Crystal grow	Temperature: 291.15 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with ...Details: His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with 0.8M K/Na tartrate tetrahydrate, 0.1 M HEPES pH 7.5 using a 1:1 ratio. Crystals were transferred into cryoprotective solutions supplemented with 100 mM H2O2 and devoid of the TCEP-HCl reducing agent for approximately 15 minutes prior to cryocooling in liquid nitrogen.

Crystal

Density Matthews: 2.6 Å³/Da / Density % sol: 52.67 %

Crystal grow

Temperature: 291.15 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with ...

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.97948 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Sep 18, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97948 Å / Relative weight: 1
Reflection	Resolution: 1.89→78.89 Å / Num. obs: 131041 / % possible obs: 100 % / Redundancy: 13.5 % / CC_1/2: 0.998 / R_merge(I) obs: 0.17 / R_pim(I) all: 0.048 / Net I/σ(I): 7.6
Reflection shell	Resolution: 1.89→1.92 Å / Redundancy: 11.4 % / R_merge(I) obs: 0.405 / Mean I/σ(I) obs: 0.3 / Num. unique obs: 6365 / CC_1/2: 0.253 / R_pim(I) all: 0.123 / % possible all: 98.1

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
DIALS		data reduction
DIALS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.89→78.888 Å / Cor.coef. F_o:F_c: 0.968 / Cor.coef. F_o:F_c free: 0.96 / SU B: 10.963 / SU ML: 0.141 / Cross valid method: FREE R-VALUE / ESU R: 0.132 / ESU R Free: 0.122
Details: Hydrogens have been added in their riding positions

	R_factor	Num. reflection	% reflection
R_free	0.2145	6233	4.868 %
R_work	0.1881	121801	-
all	0.189	-	-
obs	-	128034	97.677 %

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT

Displacement parameters

B_iso mean: 41.869 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.517 Å²	0 Å²	-0 Å²
2-	-	-0.129 Å²	0 Å²
3-	-	-	0.646 Å²

Refinement step

Cycle: LAST / Resolution: 1.89→78.888 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9620	0	118	597	10335

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.013	10111
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.015	9467
X-RAY DIFFRACTION	r_angle_refined_deg	1.414	1.653	13678
X-RAY DIFFRACTION	r_angle_other_deg	1.25	1.579	21840
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.238	5	1232
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.123	22.593	540
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.352	15	1762
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.366	15	61
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	1312
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	11595
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2383
X-RAY DIFFRACTION	r_nbd_refined	0.194	0.2	1554
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.176	0.2	8491
X-RAY DIFFRACTION	r_nbtor_refined	0.163	0.2	4717
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.074	0.2	5148
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.174	0.2	542
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_other	0.1	0.2	1
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.142	0.2	25
X-RAY DIFFRACTION	r_nbd_other	0.219	0.2	58
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.299	0.2	13
X-RAY DIFFRACTION	r_mcbond_it	1.259	2.934	4874
X-RAY DIFFRACTION	r_mcbond_other	1.259	2.934	4873
X-RAY DIFFRACTION	r_mcangle_it	2	4.395	6118
X-RAY DIFFRACTION	r_mcangle_other	2	4.395	6119
X-RAY DIFFRACTION	r_scbond_it	1.718	3.152	5237
X-RAY DIFFRACTION	r_scbond_other	1.718	3.153	5238
X-RAY DIFFRACTION	r_scangle_it	2.722	4.623	7558
X-RAY DIFFRACTION	r_scangle_other	2.722	4.624	7559
X-RAY DIFFRACTION	r_lrange_it	4.774	33.877	10667
X-RAY DIFFRACTION	r_lrange_other	4.773	33.882	10668
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.055	0.05	9414
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.051	0.05	9454
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.052	0.05	9451
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.059	0.05	9393
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.055	0.05	9386
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.047	0.05	9410

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)	Weight position
1	1	AAA	X-RAY DIFFRACTION	Local ncs	0.05543	0.05009
1	2	BBB	X-RAY DIFFRACTION	Local ncs	0.05543	0.05009
2	3	AAA	X-RAY DIFFRACTION	Local ncs	0.051	0.05009
2	4	CCC	X-RAY DIFFRACTION	Local ncs	0.051	0.05009
3	5	AAA	X-RAY DIFFRACTION	Local ncs	0.0519	0.05009
3	6	DDD	X-RAY DIFFRACTION	Local ncs	0.0519	0.05009
4	7	BBB	X-RAY DIFFRACTION	Local ncs	0.05914	0.05009
4	8	CCC	X-RAY DIFFRACTION	Local ncs	0.05914	0.05009
5	9	BBB	X-RAY DIFFRACTION	Local ncs	0.0545	0.05009
5	10	DDD	X-RAY DIFFRACTION	Local ncs	0.0545	0.05009
6	11	CCC	X-RAY DIFFRACTION	Local ncs	0.04696	0.05009
6	12	DDD	X-RAY DIFFRACTION	Local ncs	0.04696	0.05009

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.89-1.938	0.368	345	0.388	6400	X-RAY DIFFRACTION	70.3263
1.938-1.991	0.372	428	0.356	8748	X-RAY DIFFRACTION	97.8982
1.991-2.049	0.314	418	0.321	8643	X-RAY DIFFRACTION	100
2.049-2.112	0.298	424	0.298	8404	X-RAY DIFFRACTION	100
2.112-2.181	0.281	444	0.276	8160	X-RAY DIFFRACTION	100
2.181-2.258	0.264	431	0.252	7882	X-RAY DIFFRACTION	100
2.258-2.343	0.253	383	0.239	7628	X-RAY DIFFRACTION	100
2.343-2.439	0.265	375	0.227	7358	X-RAY DIFFRACTION	100
2.439-2.547	0.237	357	0.21	7074	X-RAY DIFFRACTION	100
2.547-2.671	0.234	346	0.197	6751	X-RAY DIFFRACTION	100
2.671-2.815	0.228	368	0.189	6395	X-RAY DIFFRACTION	100
2.815-2.986	0.198	300	0.184	6139	X-RAY DIFFRACTION	100
2.986-3.192	0.217	285	0.166	5723	X-RAY DIFFRACTION	100
3.192-3.447	0.208	267	0.173	5363	X-RAY DIFFRACTION	100
3.447-3.775	0.198	254	0.166	4958	X-RAY DIFFRACTION	100
3.775-4.22	0.184	223	0.148	4502	X-RAY DIFFRACTION	100
4.22-4.87	0.144	220	0.118	3982	X-RAY DIFFRACTION	100
4.87-5.959	0.192	174	0.16	3412	X-RAY DIFFRACTION	100
5.959-8.404	0.227	103	0.176	2708	X-RAY DIFFRACTION	100
8.404-78.888	0.172	88	0.174	1571	X-RAY DIFFRACTION	100

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	2.8028	-0.0741	-4.5924	0.9372	2.0816	11.8102	0.3179	-0.0819	0.2495	0.1462	-0.0553	0.128	-0.1923	-0.1498	-0.2626	0.2202	0.0194	0.0002	0.2186	0.0369	0.2324	6.2648	42.6895	54.0953
2	1.9858	-0.1473	0.4011	3.4167	5.2094	10.6161	0.0707	0.0555	-0.0104	-0.0523	0.1864	-0.1483	-0.1836	0.1954	-0.257	0.0682	0.0089	0.0216	0.0262	0.0189	0.0817	6.4301	24.8299	25.7234
3	3.1297	1.0286	2.6371	4.0999	3.6939	9.9248	-0.006	0.2575	-0.0398	-0.1433	0.0901	0.0345	-0.1641	-0.2194	-0.0841	0.1231	0.0302	0.0166	0.1217	0.0076	0.1303	6.1801	17.7717	4.989
4	0.3057	-0.7197	-1.6431	1.7023	3.8939	9.0581	-0.0163	-0.0512	0.0457	0.0457	0.1226	-0.0755	-0.0119	0.2021	-0.1063	0.1037	0.0662	-0.0146	0.048	-0.0233	0.1447	4.4139	33.1848	35.1331
5	1.4833	-0.3761	-1.8019	1.0076	1.3633	9.8888	-0.0119	0.0904	-0.0198	-0.0643	-0.0046	0.0724	0.0431	-0.2621	0.0165	0.057	0.0316	-0.0067	0.0368	-0.0092	0.1198	-2.1196	27.9396	29.0674
6	9.7464	-3.5943	-9.4381	2.9841	3.6737	11.064	0.1082	0.0529	0.1828	-0.1916	-0.0341	0.0061	-0.2134	-0.0948	-0.0741	0.0853	0.0218	-0.0421	0.0166	0.0145	0.0887	1.9246	35.1402	21.5869
7	8.215	-7.8507	-6.6655	9.1755	7.4277	6.1026	-0.0147	-0.1178	0.2096	0.0091	0.2161	-0.3231	-0.0222	0.1593	-0.2015	0.0903	0.0193	-0.0399	0.0163	-0.0033	0.0859	8.9014	32.3315	26.0292
8	3.1087	-0.6828	-2.8316	0.5743	2.1967	8.5718	0.1414	-0.0862	0.1031	-0.0366	0.0351	-0.082	-0.146	0.1242	-0.1765	0.108	-0.0033	0.0005	0.0398	-0.0073	0.1437	18.0961	15.2102	4.8113
9	0.0203	0.0643	0.1588	4.5491	5.2199	6.6145	0.0033	0.0222	0.0286	-0.0972	0.0847	-0.1603	-0.0949	0.2869	-0.088	0.0597	-0.0025	0.0289	0.0606	0.0156	0.063	17.5196	19.2791	10.1665
10	7.5532	-4.5217	-7.7103	10.7308	7.2296	8.7265	0.1929	-0.1019	0.3356	0.1921	0.2747	-0.6939	-0.0844	0.1793	-0.4675	0.0971	0.0224	0.0148	0.0238	0.034	0.2072	5.8105	43.2803	25.7559
11	7.2338	-0.4643	0.4563	1.6648	0.2982	0.2894	-0.0235	-0.0135	-0.4472	0.0194	-0.0243	0.0209	-0.0547	0.024	0.0478	0.1191	-0.0261	0.0243	0.0095	0.0072	0.081	31.4875	31.2875	17.1506
12	1.4932	0.1811	1.6085	0.9464	-0.8725	7.3965	0.1276	-0.0007	0.049	0.0397	0.0254	-0.366	-0.0561	1.0076	-0.153	0.0946	-0.0405	0.0046	0.2771	-0.0916	0.365	50.5025	39.3144	29.3811
13	8.8465	-2.0795	1.4018	0.6618	0.0153	1.0939	-0.0246	-0.1295	0.0853	0.0171	0.0279	0.0141	-0.0516	-0.0748	-0.0033	0.0942	-0.0112	0.0134	0.0264	0.021	0.1403	29.2222	34.8153	19.8624
14	4.3881	-0.5481	-5.2488	2.2333	-3.3867	14.0809	-0.2428	-0.2078	0.0952	-0.2597	0.1609	-0.0626	0.8751	0.2764	0.0819	0.2488	-0.0042	0.009	0.3438	0.0597	0.2485	8.2248	44.9647	13.9243
15	11.0719	-3.0661	4.9422	5.2884	-1.7786	2.7244	0.1905	0.7575	-0.0701	-0.5279	-0.2181	0.21	-0.0864	-0.0502	0.0276	0.2037	0.157	-0.0573	0.3907	-0.041	0.1217	17.4939	35.9753	9.3741
16	13.2279	-1.2667	-5.4325	3.7733	1.1675	5.464	0.1732	0.7644	0.5101	-0.6419	-0.1282	0.0441	-0.067	-0.1822	-0.0451	0.1889	-0.008	0.0174	0.0812	0.0664	0.1408	34.7995	35.358	8.3813
17	6.8095	-1.2504	1.7018	1.4663	0.0156	1.8135	-0.0355	0.2858	0.2726	-0.238	-0.0262	-0.0382	-0.0726	-0.0528	0.0617	0.1148	-0.0134	0.019	0.0265	0.0121	0.1749	30.6457	41.0935	17.4164
18	11.0703	-4.2252	5.5558	3.0365	-3.3389	4.5445	0.0907	-0.2355	0.506	0.0864	-0.1502	-0.4769	-0.1766	0.4245	0.0595	0.1744	-0.0802	0.0447	0.2337	-0.1412	0.3755	52.4155	21.4632	22.8349
19	7.9558	-7.561	6.0147	9.2737	-7.9129	8.2689	-0.1756	0.0836	0.4596	-0.0149	-0.0458	-0.3766	-0.1435	0.0076	0.2214	0.1269	-0.023	-0.0042	0.0137	-0.0178	0.1212	30.7407	39.7939	25.2155
20	3.5123	-1.6827	3.6188	8.1705	-0.4658	3.9505	-0.1257	0.0306	0.4385	-0.009	-0.4104	0.232	-0.1371	-0.0052	0.5361	0.2408	-0.012	0.0236	0.3096	0.0109	0.2675	17.3783	54.9238	19.7891
21	1.8239	1.0333	-3.9955	1.9957	-2.2251	8.809	0.0733	-0.1348	-0.163	0.0798	-0.3299	0.0994	-0.1406	0.225	0.2566	0.2235	0.0174	-0.0198	0.2466	0.0401	0.277	40.7366	-15.3082	54.9402
22	0.3186	-1.0859	1.2391	6.4204	-5.9935	9.504	-0.1314	-0.0214	0.004	0.1157	-0.1172	-0.3763	-0.0165	-0.0185	0.2486	0.1663	0.0161	0.0234	0.1488	-0.0179	0.1526	41.8931	-13.6933	42.8177
23	2.2743	-0.1492	-0.7031	9.9135	-9.1169	9.6062	-0.0848	0.1223	0.0693	0.081	0.3561	0.0452	-0.1098	-0.33	-0.2712	0.0394	0.0024	-0.0158	0.0245	-0.0128	0.0779	44.576	12.0406	25.1091
24	2.5333	1.3709	-2.4677	6.1108	-2.7725	5.8634	0.0413	0.1365	0.2181	-0.2833	0.0625	0.0613	0.108	0.4099	-0.1038	0.1342	0.011	-0.0144	0.1666	0.0079	0.1491	46.7568	22.7923	7.4071
25	1.8308	-2.999	2.0973	8.3542	-5.5961	4.3594	-0.0655	-0.0765	0.0064	0.1659	0.0906	-0.0054	0.0172	-0.0693	-0.0251	0.0835	0.0123	0.0065	0.0703	-0.0344	0.0979	44.7995	2.6493	27.512
26	1.0738	0.1329	0.2476	1.2072	-0.7551	5.2656	-0.0735	0.0481	0.1397	-0.0707	-0.0883	-0.2747	0.0098	0.3163	0.1617	0.032	0.0174	0.0188	0.0377	0.019	0.1615	50.6423	4.7174	26.8292
27	1.0597	-1.0654	0.2491	4.6762	-1.752	1.535	0.0959	0.0951	-0.0677	-0.3545	0.0008	0.1765	0.1271	0.0132	-0.0967	0.074	-0.0006	0.0312	0.0275	-0.0251	0.0747	42.7233	12.0642	16.0703
28	1.0079	-0.6185	0.5628	8.2911	-2.1521	0.73	0.0128	-0.0168	0.0067	-0.1836	0.081	0.4889	0.0502	-0.033	-0.0938	0.112	0.0123	0.0187	0.0976	-0.0015	0.1163	31.6492	14.4973	15.0118
29	3.3882	-3.1867	4.876	11.9361	-4.3522	7.0253	0.2239	-0.0251	-0.1294	-0.2288	-0.0414	0.243	0.3248	-0.0259	-0.1826	0.0898	0.0201	0.0183	0.0683	-0.0039	0.1617	45.8009	-7.1086	20.1359
30	5.5989	-0.0136	-0.2396	1.4861	0.4378	0.2283	0.0427	-0.1955	0.3386	-0.0283	-0.0141	-0.1063	0.0177	-0.0382	-0.0286	0.0674	-0.0235	0.0012	0.03	-0.0122	0.0416	19.318	6.3018	13.6072
31	4.8669	0.2373	-3.2145	0.3247	0.3649	3.1121	0.1909	0.4579	0.4215	0.033	-0.0601	0.1886	-0.0387	-0.6299	-0.1308	0.119	-0.0422	-0.0452	0.3019	0.19	0.3154	0.0287	-4.0042	21.2514
32	7.314	-1.7504	-1.3015	0.7813	0.1824	0.2826	0.0474	-0.0661	0.0985	0.0279	-0.0137	-0.0309	-0.019	0.0297	-0.0337	0.1075	-0.0002	-0.0068	0.0855	0.0059	0.0871	20.3737	3.7365	15.726
33	0.2385	-0.102	-0.1225	0.7726	0.2044	0.0957	-0.1174	0.0682	-0.1332	-0.0815	0.1122	-0.2029	0.0442	0.0001	0.0051	0.1989	-0.0031	0.0205	0.2697	-0.0157	0.3077	42.1723	-4.993	8.8835
34	9.6981	-0.1433	0.0889	0.0461	-0.0837	0.682	-0.0614	0.3958	0.0848	-0.081	-0.0052	-0.0315	0.0381	0.1329	0.0666	0.1904	-0.0194	0.0264	0.0826	0.0008	0.1081	30.169	4.7595	5.8828
35	7.9302	-1.4973	-4.4196	5.6271	-6.0843	11.4318	-0.0073	0.3389	-0.4408	-0.4822	-0.2217	0.1204	0.602	0.0216	0.229	0.1641	0.0122	-0.0427	0.021	-0.007	0.1297	12.8267	6.1787	0.2807
36	7.0996	-1.3565	-1.4921	2.2662	-0.4033	1.7523	0.0088	0.3966	-0.1318	-0.3214	-0.0242	-0.1179	0.2085	0.0616	0.0154	0.1007	0	-0.0069	0.0463	-0.0158	0.0364	22.0015	-3.593	9.1255
37	8.5632	-5.2164	-1.1156	3.2666	0.7187	0.3391	-0.077	-0.0126	-0.2471	0.1146	-0.0007	0.2378	0.014	-0.1519	0.0777	0.1502	-0.0116	0.0136	0.1363	0.0042	0.1376	5.7756	9.7894	20.7028
38	11.4487	-0.8425	-6.82	3.2315	1.7992	4.6479	0.0324	0.3123	0.0024	-0.2419	-0.1288	0.2973	-0.0974	-0.362	0.0964	0.1433	-0.0278	-0.0282	0.3302	0.0441	0.1191	-1.253	16.6666	19.0101
39	6.4024	-1.4588	-6.1161	1.81	3.9895	10.4807	0.2013	0.6114	-0.3637	-0.1776	-0.4168	0.0111	-0.3459	-0.9755	0.2155	0.1602	0.0936	-0.0298	0.1753	0.0075	0.0552	20.5206	-3.4997	18.7201
40	0.5453	0.5742	-1.1715	9.6073	-0.9606	2.5354	-0.0427	-0.0292	-0.1111	0.1741	-0.1911	-0.1	0.136	0.024	0.2339	0.223	-0.0283	0.0001	0.2417	0.001	0.2648	35.0356	-17.2462	11.4082
41	0.9351	-0.8898	-2.2579	1.0659	2.578	8.8575	0.0873	0.1897	-0.0033	-0.1923	-0.009	0.0411	0.0962	-0.0422	-0.0783	0.2322	-0.0098	0.0104	0.21	0.03	0.2428	24.3509	-14.3414	6.83
42	3.6471	-1.936	-4.3791	4.2187	4.6286	10.8915	0.1445	-0.0671	0.2109	0.0035	0.1357	-0.1218	-0.0619	0.1866	-0.2802	0.0389	-0.0188	-0.0361	0.0166	0.0231	0.0756	11.3354	0.9088	35.235
43	9.4678	-0.6379	-8.4824	3.941	4.3425	12.4745	-0.0349	-0.383	-0.1552	0.3127	-0.1766	0.2599	0.3262	-0.2911	0.2115	0.1829	0.0064	-0.0297	0.1854	0.042	0.1053	5.3897	6.3894	54.3712
44	1.1313	-1.3603	-2.2001	1.88	2.0119	7.0271	0.1139	-0.0367	0.148	-0.2283	0.0392	-0.3086	0.0644	0.2427	-0.1531	0.1161	-0.0363	0.0061	0.047	0.0016	0.1669	14.6782	-8.1854	24.1455
45	1.0189	-0.5254	-0.9278	1.7269	2.4097	9.41	-0.0539	-0.0338	-0.0105	0.0676	-0.0495	0.117	0.0743	-0.1971	0.1035	0.0574	-0.0342	-0.0024	0.0305	0.0068	0.1315	5.481	-5.306	31.4055
46	7.0739	5.1116	7.5468	6.3811	6.7757	10.7921	-0.0984	-0.0552	-0.1391	0.2446	0.0973	-0.0585	0.2306	0.0931	0.0011	0.0741	0.0147	0.0243	0.0233	0.0292	0.0843	11.9168	-9.8661	40.2001
47	1.4875	1.5537	1.9994	8.8905	5.6249	4.6593	-0.0679	0.0758	0.0356	0.1623	0.1449	-0.1154	0.1401	0.1151	-0.077	0.088	-0.004	0.0005	0.0203	0.0241	0.0611	15.6616	-6.0784	34.6491
48	0.8197	0.6284	0.8207	2.2381	4.1531	8.3492	0.0625	-0.1397	0.0592	0.0819	0.0987	-0.1075	-0.1026	0.1627	-0.1612	0.1649	0.0287	-0.0092	0.1392	0.0015	0.1463	14.0075	13.9777	57.2848
49	2.6951	-3.349	-2.8284	4.1724	3.5119	4.8302	-0.2502	-0.3227	0.2878	0.3386	0.3933	-0.3784	0.0628	0.1751	-0.1431	0.1202	0.0162	-0.0551	0.0699	-0.0304	0.1068	16.2459	10.2026	52.1115
50	4.6171	-0.1908	2.8503	6.6517	8.2048	12.1934	0.3425	0.208	-0.0933	0.1417	0.0984	-0.3295	0.4214	0.2509	-0.4409	0.1537	-0.0047	-0.0054	0.0172	0.0065	0.1357	19.0673	-16.02	35.565
51	2.3797	1.5817	-1.0971	1.5258	-0.6828	0.5844	0.009	0.0359	0.1496	0.0244	0.0112	0.0513	-0.0244	0.0378	-0.0202	0.0825	0.0126	-0.0626	0.0551	0.0247	0.0789	39.1378	5.9302	46.3795
52	1.0352	1.1834	1.725	2.0901	0.2375	7.5516	0.2247	0.4569	-0.2374	0.3372	0.4214	-0.349	-0.1252	1.2759	-0.6461	0.1777	-0.0481	0.0192	0.3366	-0.2002	0.5034	57.88	8.9121	37.4518
53	7.1351	6.4461	0.7879	6.3286	0.2024	0.7349	-0.2173	0.1851	0.1839	-0.1655	0.2522	0.1197	-0.0045	0.002	-0.0349	0.0768	0.0318	-0.0142	0.0556	-0.0503	0.1037	35.1203	2.0468	44.4052
54	0.1269	-0.5555	-1.0082	2.6818	4.9039	8.9763	-0.0104	0.0276	-0.0814	-0.0144	-0.1382	0.107	-0.008	-0.2637	0.1486	0.2152	0.0064	0.0015	0.1883	-0	0.322	20.6853	-15.7372	48.7788
55	11.9727	8.0179	-1.6619	8.2381	-1.4967	0.362	0.0382	-0.7359	-0.1154	0.3476	0.0087	-0.0107	-0.0486	-0.0491	-0.0469	0.1135	0.0518	-0.0061	0.2223	0.0693	0.0387	25.9616	-3.1313	53.2087
56	5.996	2.6167	0.4064	5.3145	3.903	8.9421	-0.0035	-0.4432	-0.0836	0.6649	0.0291	-0.0365	0.3435	0.0163	-0.0256	0.1739	0.0304	-0.0275	0.0705	0.0207	0.075	40.2353	4.7214	57.5214
57	4.1744	2.9216	-1.4668	2.6557	-0.8876	1.78	-0.0356	-0.0734	0.0024	0.0826	0.08	-0.1717	0.0014	0.0075	-0.0444	0.0723	0.0422	-0.0278	0.0369	-0.0325	0.0633	38.9077	-3.0481	47.2064
58	8.5121	5.0442	-1.8546	7.5147	-1.5333	4.0615	0.0934	-0.206	0.0749	0.0664	-0.1207	-0.6082	-0.1536	0.5132	0.0273	0.1	0.0265	-0.023	0.1279	0.0091	0.2202	49.819	24.5895	44.568
59	2.4163	3.8538	-1.9465	12.1097	-8.8867	7.3565	-0.0484	-0.0606	-0.2019	0.2864	-0.1674	-0.5787	-0.2096	0.0684	0.2158	0.119	0.0161	-0.0861	0.0278	0.0459	0.2039	39.5707	-1.4852	39.413
60	7.6969	-0.7718	-4.3259	3.7829	-0.1533	2.5256	-0.0755	0.0473	-0.2438	-0.0076	-0.0449	0.1077	0.057	-0.0081	0.1205	0.2063	0.0117	-0.0002	0.2486	-0.0154	0.2049	33.4073	-21.0249	43.1177
61	2.9854	1.3111	-0.3985	5.6991	-5.8576	11.8051	-0.1406	0.2169	0.4479	-0.4806	-0.1393	-0.0853	-0.0032	0.363	0.2799	0.2402	-0.0135	-0.0031	0.2096	-0.0228	0.3105	28.6559	52.2635	19.4498
62	3.2826	-2.3529	3.5489	7.5593	-8.8298	10.7007	0.0852	-0.1954	-0.0303	0.0816	0.1319	0.1533	-0.0244	-0.173	-0.2172	0.0513	-0.0116	0.0328	0.0291	-0.0413	0.1173	39.3535	29.1473	41.9155
63	3.6012	-0.6345	4.8774	9.5306	0.4158	7.3506	-0.0639	-0.1833	-0.129	0.224	0.163	-0.2364	-0.2416	0.1595	-0.0992	0.2049	-0.0802	-0.0268	0.2923	0.0613	0.1356	44.7836	18.6466	60.8294
64	0.456	-0.426	0.3503	7.8087	-4.8516	3.6582	-0.0057	-0.069	0.0609	-0.1581	0.0674	0.0846	0.0941	-0.0947	-0.0617	0.0721	-0.0183	0.0111	0.0696	-0.0472	0.1306	35.1888	32.2363	42.5346
65	1.3395	-0.4303	-0.2427	2.2501	-1.8027	4.9669	-0.1463	-0.087	0.1228	0.1137	-0.0941	-0.3615	-0.0849	0.2254	0.2404	0.0886	-0.0319	-0.0219	0.0418	-0.0253	0.2157	41.1674	39.5788	38.9047
66	9.4355	3.5605	-3.9477	11.3479	-9.0211	9.1511	0.1282	0.0311	0.228	0.3918	0.0088	0.1559	-0.3067	-0.1745	-0.137	0.1508	-0.0373	-0.0304	0.0308	-0.0201	0.161	40.2032	43.8919	44.8698
67	0.4716	1.3037	-0.7444	7.3183	-2.4665	1.2266	0.0206	-0.016	0.0276	-0.0006	0.0229	0.129	-0.0036	0.0176	-0.0435	0.102	-0.0214	-0.0203	0.079	-0.0153	0.1139	33.2443	36.838	41.9283
68	7.0793	0.7103	-0.9601	3.1857	-4.9473	7.8507	0.1672	-0.6404	-0.1538	0.2355	0.045	0.2216	-0.1628	-0.1202	-0.2123	0.3336	-0.0237	0.1082	0.0977	-0.0513	0.1807	35.8293	11.8962	58.7115
69	3.381	-6.4901	1.3076	12.5307	-2.3304	0.9538	0.0481	-0.0898	-0.3116	-0.0582	0.0928	0.5815	0.0845	-0.2398	-0.1409	0.0968	-0.0294	-0.0161	0.0964	0.0155	0.1503	27.3026	21.0273	48.8976
70	6.4282	-0.0264	-4.1107	12.2408	-7.1212	6.7932	0.116	0.1306	0.1648	0.5268	0.2669	0.5007	-0.392	-0.2366	-0.3829	0.157	0.0062	0.0129	0.0631	-0.0574	0.2026	30.5751	46.9562	45.2019
71	8.1628	7.4578	-0.1074	9.2157	-0.1467	0.5386	-0.0386	0.2945	-0.1371	-0.0538	0.1411	-0.2194	-0.0766	-0.0382	-0.1025	0.0713	0.0145	-0.0206	0.0296	0.0039	0.0551	16.9125	23.6509	48.3081
72	7.0536	-5.0724	6.8445	10.3321	-8.607	10.4708	0.0293	-0.1808	-0.0507	-0.3887	0.3369	0.3026	0.3722	-0.7146	-0.3662	0.0951	-0.0204	0.0306	0.1572	0.0285	0.1317	-5.5033	24.1641	43.5878
73	3.2438	0.6118	1.631	1.2006	0.5883	2.072	-0.0089	0.122	-0.1326	0.0905	0.013	0.0926	0.0436	-0.0473	-0.0041	0.0942	0.0261	0.0238	0.0288	-0.0248	0.1128	4.5348	24.709	42.6901
74	1.1198	1.5248	0.7188	2.0931	0.9779	0.4666	0.1772	-0.1606	0.0009	0.2467	-0.1314	-0.0026	0.0928	-0.111	-0.0458	0.3777	0.0121	0.0069	0.478	0.015	0.5331	27.544	42.8398	57.4208
75	8.2717	4.0598	1.0949	2.191	0.7282	0.3687	0.064	-0.3148	0.0376	0.1795	-0.0701	-0.0014	0.1001	0.0765	0.0062	0.178	0.0175	-0.0255	0.1292	-0.01	0.1186	19.9169	28.081	57.4809
76	4.5916	-4.7747	4.4092	4.9824	-4.6563	9.7313	-0.4618	-0.3893	0.012	0.5124	0.3737	0.0146	-0.4723	-0.3286	0.0881	0.1498	-0.0019	0.0614	0.1065	-0.0153	0.12	2.3943	21.3493	56.9279
77	6.4709	1.9613	2.9005	4.0364	2.3896	5.4716	-0.1993	-0.369	0.2273	0.2776	0.0937	0.0029	0.017	0.051	0.1056	0.0913	0.0551	0.0052	0.0504	-0.012	0.1039	11.2858	32.1927	51.3325
78	7.7007	3.6087	3.2183	4.2246	3.9895	4.5631	0.0315	0.0834	0.1119	-0.0017	-0.1776	0.6149	0.071	-0.4222	0.1461	0.1204	0.0246	-0.0395	0.1511	0.0877	0.3835	-0.4577	5.9807	39.5463
79	3.6484	3.2965	3.1172	9.1593	9.6693	12.1657	-0.1213	-0.2189	0.2407	0.3204	-0.2869	0.2858	0.1084	-0.2691	0.4082	0.1202	0.0402	0.0232	0.0492	0.0226	0.0644	9.9981	32.2326	43.3965
80	15.5286	-7.1567	4.9768	14.0112	1.8734	3.2258	0.0294	-0.1394	0.3785	-0.1293	-0.2431	-0.0533	-0.042	-0.2101	0.2137	0.3687	-0.0041	0.0222	0.4193	-0.0286	0.4061	15.2491	49.9079	53.3461

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection	Selection details
1	X-RAY DIFFRACTION	1	ALL	{ AAA\|4-12 }
2	X-RAY DIFFRACTION	2	ALL	{ AAA\|13-27 }
3	X-RAY DIFFRACTION	3	ALL	{ AAA\|28-36 }
4	X-RAY DIFFRACTION	4	ALL	{ AAA\|37-53 }
5	X-RAY DIFFRACTION	5	ALL	{ AAA\|54-79 }
6	X-RAY DIFFRACTION	6	ALL	{ AAA\|80-98 }
7	X-RAY DIFFRACTION	7	ALL	{ AAA\|99-111 }
8	X-RAY DIFFRACTION	8	ALL	{ AAA\|112-118 }
9	X-RAY DIFFRACTION	9	ALL	{ AAA\|119-136 }
10	X-RAY DIFFRACTION	10	ALL	{ AAA\|137-147 }
11	X-RAY DIFFRACTION	11	ALL	{ AAA\|148-164 }
12	X-RAY DIFFRACTION	12	ALL	{ AAA\|165-181 }
13	X-RAY DIFFRACTION	13	ALL	{ AAA\|182-195 }
14	X-RAY DIFFRACTION	14	ALL	{ AAA\|196-199 }
15	X-RAY DIFFRACTION	15	ALL	{ AAA\|200-210 }
16	X-RAY DIFFRACTION	16	ALL	{ AAA\|211-225 }
17	X-RAY DIFFRACTION	17	ALL	{ AAA\|226-258 }
18	X-RAY DIFFRACTION	18	ALL	{ AAA\|259-280 }
19	X-RAY DIFFRACTION	19	ALL	{ AAA\|281-294 }
20	X-RAY DIFFRACTION	20	ALL	{ AAA\|295-300 }
21	X-RAY DIFFRACTION	21	ALL	{ BBB\|-1-6 }
22	X-RAY DIFFRACTION	22	ALL	{ BBB\|7-14 }
23	X-RAY DIFFRACTION	23	ALL	{ BBB\|15-26 }
24	X-RAY DIFFRACTION	24	ALL	{ BBB\|27-36 }
25	X-RAY DIFFRACTION	25	ALL	{ BBB\|37-48 }
26	X-RAY DIFFRACTION	26	ALL	{ BBB\|49-89 }
27	X-RAY DIFFRACTION	27	ALL	{ BBB\|90-126 }
28	X-RAY DIFFRACTION	28	ALL	{ BBB\|127-136 }
29	X-RAY DIFFRACTION	29	ALL	{ BBB\|137-147 }
30	X-RAY DIFFRACTION	30	ALL	{ BBB\|148-165 }
31	X-RAY DIFFRACTION	31	ALL	{ BBB\|166-181 }
32	X-RAY DIFFRACTION	32	ALL	{ BBB\|182-193 }
33	X-RAY DIFFRACTION	33	ALL	{ BBB\|194-199 }
34	X-RAY DIFFRACTION	34	ALL	{ BBB\|200-217 }
35	X-RAY DIFFRACTION	35	ALL	{ BBB\|218-225 }
36	X-RAY DIFFRACTION	36	ALL	{ BBB\|226-253 }
37	X-RAY DIFFRACTION	37	ALL	{ BBB\|254-266 }
38	X-RAY DIFFRACTION	38	ALL	{ BBB\|267-280 }
39	X-RAY DIFFRACTION	39	ALL	{ BBB\|281-294 }
40	X-RAY DIFFRACTION	40	ALL	{ BBB\|295-301 }
41	X-RAY DIFFRACTION	41	ALL	{ CCC\|3-12 }
42	X-RAY DIFFRACTION	42	ALL	{ CCC\|13-27 }
43	X-RAY DIFFRACTION	43	ALL	{ CCC\|28-37 }
44	X-RAY DIFFRACTION	44	ALL	{ CCC\|38-54 }
45	X-RAY DIFFRACTION	45	ALL	{ CCC\|55-79 }
46	X-RAY DIFFRACTION	46	ALL	{ CCC\|80-96 }
47	X-RAY DIFFRACTION	47	ALL	{ CCC\|97-111 }
48	X-RAY DIFFRACTION	48	ALL	{ CCC\|112-118 }
49	X-RAY DIFFRACTION	49	ALL	{ CCC\|119-136 }
50	X-RAY DIFFRACTION	50	ALL	{ CCC\|137-147 }
51	X-RAY DIFFRACTION	51	ALL	{ CCC\|148-168 }
52	X-RAY DIFFRACTION	52	ALL	{ CCC\|169-181 }
53	X-RAY DIFFRACTION	53	ALL	{ CCC\|182-195 }
54	X-RAY DIFFRACTION	54	ALL	{ CCC\|196-200 }
55	X-RAY DIFFRACTION	55	ALL	{ CCC\|201-213 }
56	X-RAY DIFFRACTION	56	ALL	{ CCC\|214-225 }
57	X-RAY DIFFRACTION	57	ALL	{ CCC\|226-258 }
58	X-RAY DIFFRACTION	58	ALL	{ CCC\|259-280 }
59	X-RAY DIFFRACTION	59	ALL	{ CCC\|281-294 }
60	X-RAY DIFFRACTION	60	ALL	{ CCC\|295-300 }
61	X-RAY DIFFRACTION	61	ALL	{ DDD\|4-14 }
62	X-RAY DIFFRACTION	62	ALL	{ DDD\|15-27 }
63	X-RAY DIFFRACTION	63	ALL	{ DDD\|28-34 }
64	X-RAY DIFFRACTION	64	ALL	{ DDD\|35-45 }
65	X-RAY DIFFRACTION	65	ALL	{ DDD\|4-14 }
66	X-RAY DIFFRACTION	66	ALL	{ DDD\|88-97 }
67	X-RAY DIFFRACTION	67	ALL	{ DDD\|98-111 }
68	X-RAY DIFFRACTION	68	ALL	{ DDD\|112-126 }
69	X-RAY DIFFRACTION	69	ALL	{ DDD\|127-136 }
70	X-RAY DIFFRACTION	70	ALL	{ DDD\|137-147 }
71	X-RAY DIFFRACTION	71	ALL	{ DDD\|148-160 }
72	X-RAY DIFFRACTION	72	ALL	{ DDD\|161-170 }
73	X-RAY DIFFRACTION	73	ALL	{ DDD\|171-194 }
74	X-RAY DIFFRACTION	74	ALL	{ DDD\|195-200 }
75	X-RAY DIFFRACTION	75	ALL	{ DDD\|201-217 }
76	X-RAY DIFFRACTION	76	ALL	{ DDD\|218-229 }
77	X-RAY DIFFRACTION	77	ALL	{ DDD\|230-258 }
78	X-RAY DIFFRACTION	78	ALL	{ DDD\|259-280 }
79	X-RAY DIFFRACTION	79	ALL	{ DDD\|281-294 }
80	X-RAY DIFFRACTION	80	ALL	{ DDD\|295-300 }

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