3UNI

Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NADH Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	93
Detector technology	CCD
Collection date	2000-12-17
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	100.036, 146.698, 107.016
Unit cell angles	90.00, 106.03, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fo4
RMSD bond length	0.008
RMSD bond angle	1.300
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]	20.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.377
Number of reflections	149846
<I/σ(I)>	14.8	3.64
Completeness [%]	99.9	99.9
Redundancy	7.11	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Sitting Drop Batch Slide	7.5	293	12 mg/ml Xanthine Dehydrogenase (from Bovine Milk), 8 % Polyethylene Glycol 4000, 30 % Glycerol, 5 mM Dithiothreitol, 0.5 mM Sodium Salicylate, 0.2 m Ethylenediaminetetraacetic Acid, 16.65 mM Sodium Pyrophosphate (pH 8.5), 25 mM Potasium Phosphate (pH 6.5). , Sitting Drop Batch Slide, temperature 293.0K