3F2M

Urate oxidase complexed with 8-azaxanthine at 150 MPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID27
Synchrotron site	ESRF
Beamline	ID27
Temperature [K]	298
Detector technology	CCD
Collection date	2006-12-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.374
Spacegroup name	I 2 2 2
Unit cell lengths	79.700, 95.870, 104.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.820 - 1.800
R-factor	0.184
Rwork	0.182
R-free	0.21800
Starting model (for MR)	2iba
RMSD bond length	0.016
RMSD bond angle	1.669
Data reduction software	XDS
Data scaling software	SCALA (3.2.21)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.936	19.940	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.052	0.041	0.262
Total number of observations		3097	13831
Number of reflections	36047
<I/σ(I)>	7.86	12.8	2.5
Completeness [%]	96.4	92.3	96.6
Redundancy	2.7	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	3.2MG/ML URATE OXIDASE, EQUIMOLAR CONCENTRATION 8-AZAXANTHINE, 6% PEG 8000, 50mM Tris, 100mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 300K