4OP6

Urate OXIDASE + 8-AZAXANTHINE UNDER 40 BARS OXYGEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	291
Detector technology	CCD
Collection date	2012-06-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.945
Spacegroup name	I 2 2 2
Unit cell lengths	79.921, 96.170, 105.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.16576
Rwork	0.165
R-free	0.18855
Structure solution method	RIGID BODY
Starting model (for MR)	2iba
RMSD bond length	0.009
RMSD bond angle	1.361
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.044	0.373
Number of reflections	49104
<I/σ(I)>	33.6	3.4
Completeness [%]	100.0	100
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH	8.5	291	10-15MG/ML URATE OXIDASE, 8-AZAXANTHINE IN EXCESS, 50MM TRIS ACETATE, 5-8% PEG8000, pH 8.5, BATCH, temperature 291K