6ADJ

Rat Xanthine oxidoreductase, D428E variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.836, 138.665, 222.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.400 - 2.180
R-factor	0.16733
Rwork	0.167
R-free	0.21023
RMSD bond length	0.012
RMSD bond angle	1.670
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.400	2.236
High resolution limit [Å]	2.180	2.180
Rmerge	0.042	0.319
Number of reflections	220657
<I/σ(I)>	22.1
Completeness [%]	99.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	PEG 8000, lithium formate, DTT, sodium salicylate, EDTA, glycerol, HEPES