3UNA

Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NAD Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	93
Detector technology	CCD
Collection date	1999-09-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.99077
Spacegroup name	C 1 2 1
Unit cell lengths	166.028, 123.182, 147.624
Unit cell angles	90.00, 91.02, 90.00

Refinement procedure

Resolution	20.000 - 1.900
Rwork	0.181
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fo4
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.380
Number of reflections	232449
<I/σ(I)>	23.6	3.7
Completeness [%]	99.8	98.9
Redundancy	5.3	4.6

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 293K