PDB-8oh8: Crystal structure of the cysteine-rich Gallus gallus urate oxidas...

ID or keywords:

Entry

Database: PDB / ID: 8oh8

Title

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

Components

Uricase

Urate oxidase

Keywords

OXIDOREDUCTASE / COFACTOR-FREE OXIDASE /

INHIBITOR /

DIOXYGEN BINDING /

CYSTEINE

Function / homology

Function and homology information

factor-independent urate hydroxylase / purine nucleobase metabolic process /

peroxisome /

oxidoreductase activity
Similarity search - Function

Biological species

Gallus gallus (chicken)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.12 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 20, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 17, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8oh8.cif.gz	483.3 KB	Display	PDBx/mmCIF format
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Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oh/8oh8 ftp://data.pdbj.org/pub/pdb/validation_reports/oh/8oh8	HTTPS FTP

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Related structure data

Related structure data	8ofkC 8oihC 8oiwC 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) #198 - Jun 2016 Beta-galactosidase similarity (1) #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)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#117 - Sep 2009
Xanthine Oxidoreductase
similarity (3)
#198 - Jun 2016
Beta-galactosidase
similarity (1)
#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)	102.220, 124.400, 125.770
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:

Beg auth comp-ID: VAL / Beg label comp-ID: VAL

Dom-ID	Component-ID	Ens-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	ALA	ALA	AAA	A	4 - 299	27 - 322
2	1	1	ALA	ALA	BBB	B	4 - 299	27 - 322
3	2	2	ALA	ALA	AAA	A	4 - 299	27 - 322
4	2	2	ALA	ALA	CCC	C	4 - 299	27 - 322
5	3	3	SER	SER	AAA	A	4 - 301	27 - 324
6	3	3	SER	SER	DDD	D	4 - 301	27 - 324
7	4	4	ALA	ALA	BBB	B	4 - 299	27 - 322
8	4	4	ALA	ALA	CCC	C	4 - 299	27 - 322
9	5	5	ALA	ALA	BBB	B	4 - 299	27 - 322
10	5	5	ALA	ALA	DDD	D	4 - 299	27 - 322
11	6	6	ALA	ALA	CCC	C	4 - 299	27 - 322
12	6	6	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 , 1 types, 4 molecules AAABBBCCCDDD

#1: Protein	Uricase / Urate oxidase / Urate oxidase Mass: 39109.887 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: LOC101747367 / Production host: Escherichia coli BL21 (bacteria) References: UniProt: A0A8V0ZED1, factor-independent urate hydroxylase

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Non-polymers , 6 types, 467 molecules

#2: Chemical	ChemComp-AZA / 8-AZAXANTHINE Mass: 153.099 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₃N₅O₂ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	... ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 23 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Chemical	ChemComp-TAR / D(-)-TARTARIC ACID / Tartaric acid Mass: 150.087 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₆O₆
#5: Chemical	ChemComp-OXY / OXYGEN MOLECULE / Oxygen Mass: 31.999 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: O₂ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 434 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 2.56 Å³/Da / Density % sol: 51.87 %
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

Crystal

Density Matthews: 2.56 Å³/Da / Density % sol: 51.87 %

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: I24 / Wavelength: 0.9795 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jul 20, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.12→66.88 Å / Num. obs: 91505 / % possible obs: 100 % / Redundancy: 8 % / CC_1/2: 0.997 / R_merge(I) obs: 0.186 / R_pim(I) all: 0.07 / Net I/σ(I): 8.1
Reflection shell	Resolution: 2.12→2.16 Å / Redundancy: 8.2 % / R_merge(I) obs: 2.54 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 4515 / CC_1/2: 0.363 / R_pim(I) all: 0.934 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.12→66.88 Å / Cor.coef. F_o:F_c: 0.967 / Cor.coef. F_o:F_c free: 0.957 / SU B: 14.269 / SU ML: 0.168 / Cross valid method: FREE R-VALUE / ESU R: 0.192 / ESU R Free: 0.16
Details: Hydrogens have been added in their riding positions

	R_factor	Num. reflection	% reflection
R_free	0.2141	4563	4.991 %
R_work	0.1854	86858	-
all	0.187	-	-
obs	-	91421	99.963 %

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: 46.99 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.57 Å²	-0 Å²	-0 Å²
2-	-	-1.935 Å²	-0 Å²
3-	-	-	0.365 Å²

Refinement step

Cycle: LAST / Resolution: 2.12→66.88 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9602	0	162	434	10198

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.013	10171
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.015	9563
X-RAY DIFFRACTION	r_angle_refined_deg	1.451	1.651	13737
X-RAY DIFFRACTION	r_angle_other_deg	1.25	1.579	22056
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.574	5	1234
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.374	22.431	547
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.226	15	1788
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.7	15	64
X-RAY DIFFRACTION	r_chiral_restr	0.07	0.2	1305
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	11656
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2400
X-RAY DIFFRACTION	r_nbd_refined	0.191	0.2	1463
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.173	0.2	8283
X-RAY DIFFRACTION	r_nbtor_refined	0.16	0.2	4690
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.073	0.2	4988
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.152	0.2	400
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.194	0.2	23
X-RAY DIFFRACTION	r_nbd_other	0.222	0.2	60
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.227	0.2	7
X-RAY DIFFRACTION	r_mcbond_it	1.564	3.238	4885
X-RAY DIFFRACTION	r_mcbond_other	1.564	3.238	4884
X-RAY DIFFRACTION	r_mcangle_it	2.492	4.849	6136
X-RAY DIFFRACTION	r_mcangle_other	2.492	4.85	6137
X-RAY DIFFRACTION	r_scbond_it	2.091	3.524	5286
X-RAY DIFFRACTION	r_scbond_other	2.087	3.524	5285
X-RAY DIFFRACTION	r_scangle_it	3.251	5.15	7601
X-RAY DIFFRACTION	r_scangle_other	3.25	5.15	7601
X-RAY DIFFRACTION	r_lrange_it	5.123	36.639	10454
X-RAY DIFFRACTION	r_lrange_other	5.09	36.474	10398
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.06	0.05	9229
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.063	0.05	9186
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.057	0.05	9282
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.063	0.05	9298
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.054	0.05	9324
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.055	0.05	9337

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	0.05973	0.05009
1	2	BBB	X-RAY DIFFRACTION	Local ncs	0.05973	0.05009
2	3	AAA	X-RAY DIFFRACTION	Local ncs	0.06299	0.05009
2	4	CCC	X-RAY DIFFRACTION	Local ncs	0.06299	0.05009
3	5	AAA	X-RAY DIFFRACTION	Local ncs	0.05674	0.05009
3	6	DDD	X-RAY DIFFRACTION	Local ncs	0.05674	0.05009
4	7	BBB	X-RAY DIFFRACTION	Local ncs	0.06301	0.05009
4	8	CCC	X-RAY DIFFRACTION	Local ncs	0.06301	0.05009
5	9	BBB	X-RAY DIFFRACTION	Local ncs	0.05392	0.05009
5	10	DDD	X-RAY DIFFRACTION	Local ncs	0.05392	0.05009
6	11	CCC	X-RAY DIFFRACTION	Local ncs	0.05526	0.05009
6	12	DDD	X-RAY DIFFRACTION	Local ncs	0.05526	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 (%)
2.12-2.175	0.365	322	0.357	6388	X-RAY DIFFRACTION	99.9404
2.175-2.235	0.356	315	0.339	6164	X-RAY DIFFRACTION	99.9691
2.235-2.299	0.345	308	0.326	6062	X-RAY DIFFRACTION	100
2.299-2.37	0.323	331	0.297	5808	X-RAY DIFFRACTION	99.9837
2.37-2.448	0.314	291	0.284	5671	X-RAY DIFFRACTION	100
2.448-2.533	0.303	263	0.256	5531	X-RAY DIFFRACTION	100
2.533-2.629	0.254	269	0.224	5332	X-RAY DIFFRACTION	100
2.629-2.736	0.238	278	0.203	5095	X-RAY DIFFRACTION	100
2.736-2.857	0.24	274	0.2	4907	X-RAY DIFFRACTION	99.9421
2.857-2.997	0.223	278	0.177	4673	X-RAY DIFFRACTION	100
2.997-3.158	0.179	235	0.158	4483	X-RAY DIFFRACTION	100
3.158-3.349	0.188	200	0.153	4265	X-RAY DIFFRACTION	99.9105
3.349-3.58	0.179	184	0.157	4032	X-RAY DIFFRACTION	99.9052
3.58-3.866	0.183	192	0.145	3731	X-RAY DIFFRACTION	99.949
3.866-4.234	0.203	162	0.149	3470	X-RAY DIFFRACTION	100
4.234-4.731	0.167	188	0.127	3121	X-RAY DIFFRACTION	99.9396
4.731-5.458	0.174	144	0.142	2785	X-RAY DIFFRACTION	99.9659
5.458-6.674	0.231	157	0.191	2358	X-RAY DIFFRACTION	100
6.674-9.392	0.168	107	0.149	1872	X-RAY DIFFRACTION	99.9495
9.392-66.88	0.164	65	0.216	1110	X-RAY DIFFRACTION	99.4078

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	1.281	0.7114	3.1218	3.4374	3.264	13.0151	0.2254	-0.3062	0.0295	0.0898	0.337	0.3414	-0.2516	-0.1619	-0.5624	0.2961	-0.03	0.0533	0.269	-0.0208	0.3001	21.401	14.8076	56.7814
2	2.4678	1.7215	2.9181	5.041	4.9777	10.3022	0.1225	0.1603	-0.0186	0.0848	0.2304	-0.1373	0.0811	0.3056	-0.3529	0.0316	0.0208	0.0475	0.0217	0.0189	0.1022	11.4283	-1.4172	28.9406
3	1.7221	1.2401	2.1805	4.4939	3.9749	9.1534	0.0158	0.3887	0.083	-0.1094	-0.0394	0.172	-0.0369	-0.1101	0.0236	0.1294	0.0124	0.0281	0.1568	0.0293	0.1628	6.5588	-7.2099	8.5352
4	0.4057	-0.3842	-0.7822	3.2402	3.4479	7.176	0.0806	-0.0369	0.0767	0.2115	-0.0288	-0.3584	-0.1261	-0.1484	-0.0519	0.1218	0.0259	-0.0033	0.0263	0.0012	0.1196	13.812	7.0191	38.3976
5	1.0828	0.1538	0.0752	1.0438	1.6055	7.4652	-0.1047	0.0438	-0.0441	0.0046	-0.1018	0.1513	-0.1065	-0.2957	0.2065	0.0902	0.0399	0.0021	0.048	0.0113	0.1669	5.271	4.9431	32.8643
6	7.0018	-4.6871	-6.6978	4.99	5.7851	9.9202	-0.091	-0.0552	0.1716	-0.1826	0.2196	0.0013	-0.4151	0.0781	-0.1286	0.1078	-0.0005	-0.0178	0.0294	0.032	0.1316	11.5468	9.8304	24.8747
7	1.8141	-4.0434	-2.906	12.0738	7.3516	4.9062	-0.0825	-0.0053	-0.0368	0.0904	0.1048	-0.1928	0.091	0.0299	-0.0223	0.149	0.0511	0.0059	0.0245	0.0025	0.1311	16.8375	4.342	28.9411
8	3.7528	-1.2133	-2.1682	5.2585	4.8213	7.2894	-0.0044	0.1956	-0.0502	-0.2764	0.1837	-0.1292	0.1032	0.3047	-0.1793	0.1855	-0.002	-0.0063	0.1059	0.0397	0.1557	15.963	-14.8121	7.3916
9	3.1296	3.9165	3.3634	6.2979	3.8596	4.7789	-0.1285	0.3881	-0.1797	-0.3293	0.3786	-0.4762	-0.0745	0.421	-0.2501	0.0546	-0.0013	0.0396	0.0595	0.0107	0.116	17.7722	-10.8877	12.7229
10	3.301	-2.2487	-2.6402	6.1819	4.7432	6.3813	0.0348	-0.1692	0.1599	-0.0394	0.1148	-0.2495	-0.2375	0.1136	-0.1496	0.1283	-0.0289	0.0103	0.1211	0.018	0.1525	18.7629	15.7242	28.7016
11	6.2992	-4.1073	0.5154	4.2951	-1.0466	0.3545	-0.0593	-0.2036	-0.3655	0.1137	0.0797	0.213	-0.0367	0.0081	-0.0204	0.0895	-0.029	0.0061	0.0401	-0.0196	0.065	36.2206	-6.2766	18.7956
12	5.8973	-3.2441	0.9316	1.8072	-0.5344	0.1779	0.094	0.237	0.091	-0.0377	-0.1882	-0.1419	0.023	0.1464	0.0942	0.1734	0.0044	0.0096	0.4887	0.1308	0.4502	57.9371	-7.1783	29.2866
13	7.177	-5.7038	3.0114	4.5913	-2.4556	1.3315	-0.0956	-0.0422	-0.1903	0.159	0.0698	0.0699	-0.1157	-0.0494	0.0258	0.1585	0.0092	-0.0421	0.0269	-0.0564	0.1802	35.9172	-2.1394	21.6578
14	1.0584	0.5277	3.1704	6.7402	8.1294	20.4211	-0.0774	0.2792	0.3589	-0.1244	-0.4313	0.2931	0.1563	-0.4816	0.5088	0.3147	-0.0385	-0.0774	0.3404	0.0888	0.4193	20.5764	16.1393	17.2994
15	8.255	-3.9078	0.166	2.1468	-0.4046	2.9325	0.13	0.4086	-0.1119	-0.2689	-0.0939	0.0534	-0.2117	-0.2206	-0.0362	0.2234	-0.0405	0.0031	0.0741	0.0227	0.109	25.2844	4.1362	11.9429
16	6.7159	-1.8075	-4.2425	3.315	0.9568	4.9896	0.0184	0.441	0.215	-0.1602	-0.0513	-0.0678	0.0378	-0.0947	0.033	0.1302	-0.0428	-0.017	0.1096	-0.0114	0.1108	40.2346	-3.8919	9.6888
17	4.4268	-3.9879	1.7392	3.6084	-1.6826	2.9687	0.068	-0.0435	0.1729	-0.0749	0.0573	-0.1696	-0.0215	0.0247	-0.1253	0.0775	-0.0492	0.0184	0.0336	-0.0272	0.115	39.7461	2.9966	18.9946
18	5.8986	-5.1756	2.1417	9.7251	-2.7558	2.1709	0.0092	-0.0948	0.0803	0.1533	-0.1382	-0.8069	0.2829	0.5978	0.129	0.1848	0.0961	0.0059	0.3171	-0.0227	0.2964	51.1966	-24.3441	23.1299
19	2.4458	-3.2987	1.6214	9.1217	-7.4088	7.068	-0.1193	0.029	0.2722	-0.1749	-0.0227	-0.4895	0.1776	0.0199	0.142	0.1548	-0.0496	0.0672	0.0326	-0.0231	0.2166	39.89	1.6413	26.8586
20	12.0288	6.4338	-0.2888	11.6657	-3.6712	6.8331	-0.5101	0.0701	0.656	-0.3322	0.3075	0.1375	0.0013	0.2426	0.2025	0.2088	0.0148	0.0115	0.2276	-0.0147	0.1915	34.1921	20.741	21.3613
21	0.9099	-1.5605	-0.6113	3.8859	-1.307	5.9512	0.0551	0.1636	0.1688	-0.0642	-0.3013	-0.2129	0.032	0.1074	0.2462	0.2311	-0.0377	0.0438	0.241	0.0699	0.3412	40.315	15.5837	10.618
22	2.6039	2.0187	-2.603	8.7758	-9.683	16.9538	0.1836	0.0763	0.1409	-0.0228	-0.2955	-0.043	-0.1441	0.3773	0.1119	0.161	-0.0499	-0.0068	0.1613	-0.0267	0.1913	42.0762	13.9675	23.3387
23	1.5693	0.8521	-0.4302	8.0941	-8.0467	9.5018	0.0829	-0.0773	0.0282	-0.1172	0.2918	0.3414	0.196	-0.101	-0.3747	0.067	0.0031	-0.0112	0.0596	-0.0229	0.1592	44.1698	-11.3991	41.7123
24	2.4646	0.8189	1.6089	8.9742	-5.545	6.2692	-0.0231	-0.3977	-0.1818	0.28	0.0014	-0.2885	-0.1488	0.0459	0.0217	0.1645	0.0075	0.0089	0.2437	-0.0176	0.1466	45.1646	-21.6751	59.7762
25	2.5415	4.6365	-3.0037	9.9055	-6.4053	4.5046	0.0014	0.1154	0.0829	-0.0484	0.0325	0.0147	-0.0591	-0.0293	-0.0339	0.1028	-0.0283	-0.0231	0.1092	-0.0455	0.1446	44.3394	-1.9216	39.1122
26	1.015	-0.0159	-1.3326	1.8127	-0.5259	5.013	-0.0741	-0.1779	-0.071	0.1908	-0.0725	-0.3103	-0.0032	0.4239	0.1467	0.0816	-0.0443	-0.0629	0.1093	-0.0037	0.2059	50.192	-3.8444	40.3289
27	1.8078	1.4155	-0.6717	6.3245	-2.604	2.006	0.1342	-0.138	0.0975	0.3801	0.0356	0.2216	-0.128	0.2036	-0.1698	0.1403	-0.0037	-0.05	0.1131	-0.0484	0.0699	41.5725	-11.1432	50.5875
28	0.3759	1.1571	-0.9149	9.1054	-3.1761	2.2519	-0.0117	0.041	0.0219	0.0797	0.098	0.4674	0.0088	-0.1059	-0.0863	0.0841	0.012	-0.0226	0.0923	0.004	0.1516	30.5762	-14.0008	50.7907
29	12.7336	4.9304	-7.4063	11.2534	-7.9572	8.205	0.2858	0.1848	0.3833	0.0814	-0.0407	0.1723	-0.7294	0.2273	-0.2451	0.3174	-0.103	-0.036	0.156	-0.1193	0.2044	44.367	8.0842	46.3046
30	3.8272	0.5757	1.709	0.5436	0.5698	1.1055	0.1448	0.3566	-0.2016	0.1291	-0.0025	-0.108	-0.0083	0.0596	-0.1423	0.1931	0.0621	-0.0174	0.0672	-0.0084	0.058	17.9665	-6.1245	51.1617
31	2.6854	0.3758	2.7612	0.5011	-1.0385	7.7844	0.1596	-0.2655	0.2228	-0.0366	0.1202	0.2657	0.2538	-0.8523	-0.2798	0.1681	0.0581	0.0048	0.1394	0.0383	0.3042	-1.0375	3.5123	41.9816
32	7.9248	1.6596	1.9016	0.3552	0.3617	0.6656	0.0943	0.0029	0.0478	0.021	-0.0171	0.0201	-0.0183	0.0547	-0.0772	0.1351	0.014	0.0031	0.0662	-0.0013	0.1492	19.0895	-3.5488	49.0248
33	8.3579	1.9632	2.8001	5.9482	1.3007	1.0195	-0.1253	-0.2923	0.0383	0.1013	0.1708	-0.6497	-0.0154	-0.0339	-0.0455	0.2226	0.0282	0.0261	0.2749	0.0339	0.2217	40.4533	5.9137	56.6706
34	12.0402	0.5437	0.2943	0.0581	-0.0955	0.4874	0.0379	-0.5019	0.0931	0.0666	-0.0488	-0.0072	-0.1112	0.1636	0.0109	0.2064	0.0189	-0.0221	0.1066	-0.0131	0.1199	28.3348	-4.0705	59.5103
35	9.9088	-1.1335	1.2423	0.3104	-1.0556	8.4605	-0.2085	-0.1461	0.138	0.1965	-0.0102	0.0226	-0.4065	0.0997	0.2186	0.2678	-0.0215	0.0308	0.0554	-0.0209	0.1476	10.7671	-5.8834	64.0789
36	6.5265	1.4438	2.2663	0.8426	0.3004	2.0938	0.0264	-0.3954	0.2085	0.269	0.0234	-0.0407	-0.2215	-0.0181	-0.0498	0.159	0.0346	-0.012	0.0686	-0.057	0.12	20.1146	3.9547	55.5728
37	10.2193	6.6103	0.9131	4.7735	0.3629	0.274	0.0089	0.1609	0.3435	-0.0372	0.0011	0.2679	-0.004	-0.0508	-0.0101	0.1588	0.033	0.004	0.1706	-0.0006	0.1474	4.9444	-9.9156	43.1452
38	9.3195	1.5227	4.6315	3.15	1.9794	4.5915	0.0781	-0.3048	0.0602	0.2216	-0.1186	0.3848	0.1995	-0.6517	0.0405	0.1496	-0.0046	0.0131	0.1417	0.0164	0.1485	-1.9765	-16.8846	44.6202
39	4.4736	1.0267	3.3801	1.9988	4.3717	9.968	-0.1346	-0.2669	0.4288	0.292	-0.1323	0.0988	0.5055	-0.2286	0.2669	0.2311	-0.0066	0.0049	0.1095	-0.0309	0.1048	19.1801	3.5792	45.8604
40	0.5944	-0.3074	1.9548	6.7405	-2.1631	7.8428	-0.1414	-0.0452	0.3205	0.239	-0.6637	-0.2697	-0.2424	-0.3234	0.8051	0.2663	-0.0156	-0.0296	0.3296	-0.0028	0.3383	31.4183	17.6888	55.0197
41	1.3748	-1.05	0.6412	0.9078	0.4289	10.5349	0.1676	0.221	-0.2105	-0.1373	-0.1169	0.2117	0.3305	0.05	-0.0506	0.2668	-0.0255	0.0142	0.2352	0.0209	0.266	8.6757	-43.879	10.8925
42	2.6944	0.052	-1.3371	3.8004	5.1238	9.4819	0.016	-0.1261	-0.0383	0.1337	0.2123	-0.1377	0.4021	0.3372	-0.2284	0.0478	-0.0013	-0.0394	0.0259	0.0235	0.1162	6.4232	-25.1326	38.7163
43	4.8736	-1.9895	-6.0269	3.0404	4.3909	15.4368	0.0368	-0.2668	-0.0406	0.2466	0.0239	0.0414	0.1294	-0.3416	-0.0607	0.1207	-0.0393	-0.0407	0.1214	-0.0005	0.1396	5.1711	-18.0662	58.1573
44	0.4401	0.7412	-0.5952	3.654	2.6384	6.5171	-0.133	0.0182	-0.1257	-0.0337	0.1392	-0.2936	0.5384	0.2287	-0.0062	0.0869	0.0187	-0.0184	0.0606	0.0017	0.1559	4.5295	-34.6995	27.3936
45	0.9413	0.0269	1.0883	1.1326	1.7701	8.6505	-0.0715	-0.0542	0.0485	0.0516	-0.0271	0.0492	0.0134	-0.2717	0.0986	0.0874	-0.0492	0.0036	0.064	0.0036	0.1424	-1.8956	-28.1495	35.432
46	10.0077	4.4279	8.4978	1.9754	3.8946	8.6586	0.0708	-0.116	-0.1567	0.0707	-0.0611	-0.0474	0.2496	-0.0602	-0.0096	0.1682	-0.0527	0.0093	0.0312	0.0027	0.1456	2.5662	-35.1065	43.8531
47	5.6299	4.5418	5.0576	6.6649	5.6233	5.6066	-0.0509	0.1668	-0.1236	0.1631	0.2163	-0.1451	0.2047	0.1771	-0.1654	0.1442	-0.036	-0.0214	0.04	0.0255	0.0652	7.2344	-33.2676	37.8151
48	0.5536	0.6979	2.1576	0.922	2.8665	8.9397	0.0451	0.0698	-0.034	-0.0299	0.1029	-0.0629	-0.1418	0.2908	-0.1481	0.1768	0.0085	-0.0005	0.0726	-0.0166	0.1436	16.6605	-14.9265	59.7365
49	0.2299	-0.403	-1.0853	6.8731	5.0522	6.7411	-0.0031	-0.0822	-0.0129	0.0673	0.0181	-0.0647	0.053	0.3342	-0.015	0.0665	0.0207	-0.072	0.0413	-0.0239	0.0985	16.3659	-19.0763	54.6615
50	5.4225	4.5493	7.7587	5.6441	7.7072	11.8977	0.038	0.0679	-0.2517	0.1719	0.3742	-0.3743	0.1337	0.3151	-0.4122	0.1508	-0.0217	-0.0332	0.0863	0.0339	0.2243	5.8978	-43.6045	39.016
51	3.9719	0.9145	-0.8107	0.4889	-0.0754	1.7012	0.1319	0.0689	0.1972	0.1211	-0.0818	-0.0212	0.1699	0.0766	-0.0501	0.15	0.0185	-0.0973	0.0546	0.0009	0.1224	34.3457	-32.7693	47.7861
52	1.9295	1.598	2.707	2.055	3.9056	8.8518	0.3891	-0.0419	-0.39	0.2622	0.1507	-0.6045	0.3754	0.6439	-0.5399	0.2814	0.099	-0.0999	0.2476	0.0289	0.5403	51.6637	-38.2572	37.348
53	9.7273	2.1765	-1.3939	0.4886	-0.2901	0.7855	-0.0226	-0.0242	-0.0332	0.0094	-0.0054	-0.0111	0.1317	-0.126	0.028	0.1533	0.0377	-0.0417	0.068	-0.0036	0.1743	28.8916	-34.5162	46.3006
54	2.9615	0.7184	-0.8106	0.206	-0.2164	0.2342	-0.0113	-0.3328	-0.079	0.0444	0.0168	0.0259	-0.0238	0.029	-0.0055	0.3096	0.0641	0.0355	0.4563	0.0062	0.32	8.1788	-43.6829	51.7572
55	9.5312	1.7836	1.4834	0.66	-0.0201	1.3264	-0.0057	-0.5363	-0.0992	0.1714	0.0083	-0.0174	0.1801	-0.0825	-0.0026	0.2554	0.0632	-0.0178	0.1358	0.0136	0.1419	19.0603	-35.0072	55.9025
56	10.062	-1.3258	-0.6131	1.6731	1.4157	10.5228	-0.0592	-0.4497	-0.7609	0.5679	0.011	-0.1719	-0.1789	-0.1432	0.0482	0.2854	0.0017	-0.0625	0.0259	0.0559	0.2206	35.7411	-34.4228	59.0143
57	6.4714	0.6497	-1.1033	0.547	0.2742	2.3789	0.1199	-0.1716	-0.3196	0.2921	-0.101	-0.0175	0.292	-0.0343	-0.0189	0.2585	-0.0071	-0.0409	0.0424	0.011	0.2037	30.2563	-40.6764	49.0824
58	9.1647	3.6152	-1.5899	4.9474	-1.1711	3.4187	0.0258	-0.0199	-0.5141	-0.0154	-0.0656	-0.6341	-0.0495	0.6278	0.0398	0.1936	0.0453	-0.0394	0.1765	0.0097	0.2488	52.1716	-20.5372	44.7317
59	8.4481	4.542	-5.7431	4.0758	-5.7097	8.2417	0.1134	-0.2168	-0.5402	0.4459	-0.1942	-0.1336	-0.4918	0.2705	0.0807	0.4087	0.0231	-0.0247	0.0252	-0.0218	0.1277	30.9272	-39.5699	41.2722
60	0.8785	-0.2486	-1.1252	7.4587	3.5478	2.854	-0.2016	-0.169	-0.5326	0.0349	-0.3319	-0.1724	0.2519	0.0691	0.5335	0.3138	0.0204	0.0008	0.3425	0.0384	0.4208	18.1336	-54.9317	46.7628
61	1.8764	1.3681	1.3393	4.0729	-5.4926	14.8705	0.1381	-0.1931	-0.1291	0.0595	-0.0768	-0.0628	0.2466	-0.0317	-0.0613	0.2433	0.0433	-0.0005	0.2394	0.0107	0.2555	28.6939	-52.0567	47.4323
62	3.4774	2.5645	-3.8344	8.377	-8.266	9.7226	0.1377	0.1736	0.1557	0.0546	0.2365	0.2148	-0.0241	-0.1746	-0.3742	0.0876	0.0288	-0.0405	0.0424	-0.0555	0.1578	40.5518	-29.1376	25.037
63	1.9736	0.6724	-1.4386	2.5812	-2.3991	8.4094	0.0344	0.2927	0.0434	-0.4711	-0.029	-0.2497	0.2371	0.2767	-0.0054	0.1878	0.0256	0.0077	0.1995	-0.014	0.1912	47.1859	-19.0347	6.3961
64	0.9762	1.0324	-0.355	8.5376	-4.6412	3.1839	0.0193	0.068	0.0043	0.0331	0.0895	0.2163	0.0654	-0.0735	-0.1088	0.1105	0.0376	-0.0213	0.0842	-0.0463	0.1505	36.5247	-32.4057	24.1528
65	1.3571	0.6698	0.0952	2.1684	-1.2891	4.6707	-0.0908	0.0838	-0.1813	-0.1149	-0.1291	-0.4451	0.36	0.4535	0.2199	0.1808	0.095	-0.0145	0.0871	-0.0338	0.2709	42.3395	-39.467	28.4309
66	6.9635	-5.2168	4.8335	11.2439	-7.9458	9.523	-0.1936	0.1235	-0.3333	-0.1005	0.0404	-0.0167	0.4657	0.188	0.1532	0.1975	0.0725	-0.0086	0.0725	-0.0442	0.231	41.9069	-43.9872	22.4341
67	0.9747	-1.603	1.048	8.2505	-3.5384	1.7238	0.0228	0.0104	-0.0382	0.0339	0.0527	0.1081	0.0301	0.0157	-0.0755	0.1815	0.0397	-0.0006	0.099	-0.0418	0.1393	34.5893	-37.0192	24.7367
68	2.7127	0.6347	-1.7093	6.3339	-3.7833	6.1668	-0.0649	0.3605	0.0864	-0.7144	0.1265	0.4721	0.2028	-0.0777	-0.0616	0.1956	-0.0151	-0.0376	0.0816	-0.0197	0.1714	38.036	-12.352	7.6443
69	1.108	3.544	-1.3161	11.3366	-4.2089	1.5644	-0.0357	0.0731	0.1405	-0.0853	0.2211	0.4444	0.0369	-0.0907	-0.1854	0.1223	0.0333	0.0146	0.0867	0.0153	0.2004	28.904	-21.4423	16.9968
70	4.5574	-2.4391	0.7416	8.1015	-3.9321	2.6485	-0.0483	-0.1021	-0.1821	-0.0019	0.1922	0.1589	0.1217	-0.13	-0.1439	0.1715	0.0192	-0.0263	0.126	-0.0318	0.1618	32.4175	-47.2521	21.3858
71	10.6823	-10.0486	1.0133	10.2546	-0.7116	1.5594	-0.2484	-0.444	0.2539	0.2347	0.3369	-0.2952	0.0097	0.1022	-0.0885	0.0934	-0.0225	0.0306	0.0662	-0.0191	0.0805	18.5044	-24.2579	16.8725
72	6.918	7.082	-5.6732	9.1365	-4.4786	5.8389	0.2667	0.6002	0.4767	0.4144	0.131	0.4966	-0.3713	-0.9078	-0.3977	0.2506	0.0715	-0.0323	0.1977	0.0377	0.1736	-4.2513	-25.021	19.9345
73	4.1222	-0.721	-2.2913	0.9851	0.1266	2.2568	0.0502	-0.0196	-0.0371	-0.1406	0.0085	0.1322	-0.0245	-0.065	-0.0588	0.1149	-0.0455	-0.0453	0.035	-0.0044	0.1502	5.736	-25.3917	21.6017
74	1.7665	-2.0076	-0.6288	2.29	0.7188	0.2293	0.1203	0.1732	-0.0197	-0.1094	-0.1519	0.007	-0.0365	-0.0103	0.0316	0.374	-0.0672	0.0152	0.5993	0.1101	0.3893	30.7881	-43.3949	9.4116
75	10.4259	-5.6479	-0.1343	3.17	-0.0799	0.6382	0.1906	0.3827	-0.0347	-0.2114	-0.1516	-0.0245	0.1106	0.0356	-0.039	0.1584	-0.0705	-0.0131	0.1163	-0.0137	0.1375	22.2598	-28.7292	8.0275
76	6.8306	5.3548	-6.0213	4.588	-3.5838	8.807	-0.7172	0.6105	-0.299	-0.67	0.4093	-0.1945	0.4093	-0.604	0.3079	0.2072	0.0076	-0.0463	0.1568	0.0003	0.1835	4.5674	-22.4336	7.1111
77	5.8484	-2.1215	-2.7767	3.1919	1.4927	3.547	-0.1039	0.3029	-0.1421	-0.3175	0.0327	0.0775	0.0447	0.0915	0.0712	0.1689	-0.0604	-0.008	0.0596	-0.0134	0.1166	13.2791	-32.9242	13.6146
78	5.9922	-4.4411	-4.1343	5.6747	5.5807	5.7697	0.017	-0.0747	-0.3107	-0.1576	-0.3633	0.7084	-0.1381	-0.5381	0.3463	0.1037	-0.0488	-0.0356	0.2097	0.1405	0.593	0.0092	-6.7446	23.9674
79	3.6169	-3.2184	-3.4347	3.8986	5.4031	9.0242	0.0076	0.1596	-0.2425	-0.1696	-0.0918	0.1598	-0.0734	-0.0889	0.0843	0.2309	-0.0596	-0.0163	0.044	0.0239	0.0723	11.4531	-32.8359	21.4368
80	5.8713	5.3523	-2.9989	13.4629	-0.2659	2.2414	-0.3162	0.0081	-0.4228	0.444	-0.1232	0.3976	0.37	-0.0458	0.4394	0.4531	-0.0194	0.0162	0.3988	-0.001	0.4922	17.9286	-51.166	13.0768

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\|295-299 }
21	X-RAY DIFFRACTION	21	ALL	{ BBB\|-2-6 }
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\|295-299 }
41	X-RAY DIFFRACTION	41	ALL	{ CCC\|4-12 }
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\|295-299 }
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\|46-87 }
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\|295-301 }

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