4PR8

URATE OXIDASE AZIDE URIC ACID TERNARY complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.938
Spacegroup name	I 2 2 2
Unit cell lengths	78.577, 95.155, 104.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.000 - 1.160
R-factor	0.184
Rwork	0.184
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4fsk
RMSD bond length	0.026
RMSD bond angle	0.070
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.000	10.000	1.280
High resolution limit [Å]	1.158	1.280	1.158
Rmerge		0.055	0.272
Number of reflections	65154
<I/σ(I)>		64.4	2.1
Completeness [%]	80.8	97.15	34.2
Redundancy		2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH METHOD	8.5	291	URATE OXIDASE COMPLEXED WITH 8-NITROXANTHINE (RED CRYSTALS-3LD4) SOAKED IN URIC ACID SOLUTION. AFTER LIGAND EXCHANGE, (COLORLESS CRYSTALS) THE CRYSTALS WERE INCUBATED WITH SODIUM AZIDE 0.3M, 18% PEG8000, TRIS BUFFER PH=8.5 FOR 1/2 H., BATCH METHOD, temperature 291K