4YTY

Structure of rat xanthine oxidoreductase, C535A/C992R/C1324S, NADH bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.988, 137.404, 222.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.500 - 2.200
R-factor	0.18
Rwork	0.178
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3an1
RMSD bond length	0.010
RMSD bond angle	1.294
Data reduction software	SCALEPACK
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.500
High resolution limit [Å]	2.200
Number of reflections	153088
<I/σ(I)>	18.2
Completeness [%]	99.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	PEG 8000, lithium formate, DTT, sodium salicylate, EDTA, glycerol, HEPES