4N3M

Joint neutron/X-ray structure of urate oxidase in complex with 8-azaxanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2008-04-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	80.200, 96.200, 105.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.904
R-factor	0.2412
Rwork	0.240
R-free	0.26720
RMSD bond length	0.014
RMSD bond angle	1.485
Data reduction software	LAUEGEN
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.430	2.040	2.000
High resolution limit [Å]	1.900	1.920	1.900
Rmerge	0.141	0.144	0.236
Number of reflections	23362
<I/σ(I)>	9.2	8.53	2.6
Completeness [%]	73.2	84.2	45.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	temperature-controlled batch	8.5	291	5 % PEG 8000, 0.1 M NaCl, 0.1 M TrisHCl pD 8.5, 8 mg/ml urate oxidase, temperature-controlled batch, temperature 291K
1	temperature-controlled batch	8.5	291	5 % PEG 8000, 0.1 M NaCl, 0.1 M TrisHCl pD 8.5, 8 mg/ml urate oxidase, temperature-controlled batch, temperature 291K