3ETR

Crystal structure of xanthine oxidase in complex with lumazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	133.190, 73.491, 146.505
Unit cell angles	90.00, 98.68, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.201
Rwork	0.197
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fiq
RMSD bond length	0.020
RMSD bond angle	1.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.257
High resolution limit [Å]	2.200	2.200
Number of reflections	140747
<I/σ(I)>	5	1.7
Completeness [%]	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH	7.2	298	PEG 8000, pH 7.2, BATCH, temperature 298K