1JRO

Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1
Unit cell lengths	92.875, 141.053, 158.113
Unit cell angles	109.53, 105.83, 101.33

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.21505
Rwork	0.213
R-free	0.25154
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fo4
RMSD bond length	0.025
RMSD bond angle	2.365 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.161 *	0.730 *
Total number of observations	722868 *
Number of reflections	187987
<I/σ(I)>	11.2	2.7
Completeness [%]	99.2
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	295	PEG, Tris, DTT, isopropanol at pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K
1	Vapor diffusion *	8	295	PEG, Tris, DTT, isopropanol at pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	8 (%)
3	1	reservoir		7.5 (mM)
4	1	reservoir	dithiothreitol	25 (mM)
5	1	reservoir	isopropanol	3 (%)
6	1	reservoir	Tris	0.1 (M)	pH8.0