7PUF

urate oxidase azaxanthine complex under 600 bar (60 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	78.225, 95.268, 104.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.680 - 1.860
R-factor	0.164
Rwork	0.162
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dimer reconstructed from pdbid 1R51
RMSD bond length	0.007
RMSD bond angle	1.297
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]	47.700	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.063	0.182
Rmeas	0.067	0.222
Rpim	0.026	0.151
Number of reflections	53842	699
<I/σ(I)>	21.4	2.8
Completeness [%]	81.5	20.1
Redundancy	11.3	3.1
CC(1/2)	0.999	0.950

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)