8J79

Bovine Xanthine Oxidoreductase Crystallized with oxypurinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	167.678, 123.470, 150.059
Unit cell angles	90.00, 90.89, 90.00

Refinement procedure

Resolution	47.720 - 1.990
R-factor	0.16515
Rwork	0.163
R-free	0.19667
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.623
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.110
High resolution limit [Å]	1.990	1.990
Number of reflections	210046	33646
<I/σ(I)>	10.6
Completeness [%]	99.7
Redundancy	5
CC(1/2)	0.996	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	The enzyme solution was exchanged buffer into 50 mM Tris-HCl pH 7.4 and diluted with 50 mM Tris-HCl pH 7.4, 5 mM DTT, 100 micro M oxypurinol, and 30% glycerol to a concentration of 8.6 mg/ml. The precipitant solution contained 50 mM potassium phosphate pH 6.0, 5 mM DTT, 0.2 mM EDTA, 100 micro M oxypurinol, 30% glycerol and 14%-15% PEG 4000. 10 micro L enzyme solution and 10 micro L reservoir solution were mixed on siliconized glass plates and kept in the dark at 20 C for 5 days.