2E3T

Crystal structure of rat xanthine oxidoreductase mutant (W335A and F336L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	101.066, 139.513, 222.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.280
Rwork	0.185
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fo4
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.420
High resolution limit [Å]	2.280	2.280
Number of reflections	143627
Completeness [%]	100.0	100
Redundancy	8.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	293	10% Polyethylene glycol 8000, 0.6M Lithium sulfate, 5mM dithiothreitol, 1mM sodium salicylate, 0.4mM EDTA, 15% glycerol, 40mM HEPES, pH 6.20, VAPOR DIFFUSION, temperature 293K