7PWN

URATE OXYDASE AZA-XANTHINE COMPLEX AT 1000 BARS (100 MPa) OF ARGON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7712
Spacegroup name	P 21 21 2
Unit cell lengths	78.429, 95.177, 104.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.630 - 1.640
R-factor	0.1773
Rwork	0.176
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dimer reconstructed from pdbid 1R51
RMSD bond length	0.008
RMSD bond angle	1.328
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.630	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.051	0.589
Rpim	0.024	0.286
Number of reflections	84438	4955
<I/σ(I)>	16	1.9
Completeness [%]	88.3	36.3
Redundancy	10.8	3.9
CC(1/2)	0.999	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	298	20 microLiter (17 mg/mL protein, BUFFER Tris/Acetate pH 8) mixed with 20 microLiter PEG 4000 8% (same pH)