2PES

Urate Oxidase in complex with tris-dipicolinate Lutetium

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.979700, 1.341332
Spacegroup name	I 2 2 2
Unit cell lengths	79.550, 95.320, 104.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.600
R-factor	0.18
Rwork	0.179
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.358
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.673	47.670	1.600
High resolution limit [Å]	1.518	4.800	1.520
Rmerge	0.066	0.011	0.011
Total number of observations		9077	22936
Number of reflections	59288
<I/σ(I)>	4.7	17.5	0.4
Completeness [%]	96.6	78.7	84.6
Redundancy	6.6	5.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% PEG 8000, 0.1 Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% PEG 8000, 0.1 Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% PEG 8000, 0.1 Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K