5C4I

Structure of an Oxalate Oxidoreductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97959
Spacegroup name	P 21 21 21
Unit cell lengths	84.351, 152.203, 171.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.658 - 2.274
R-factor	0.1761
Rwork	0.174
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.673
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.270	6.190	2.280
Rmerge	0.171	0.082	0.577
Rmeas	0.188	0.089	0.644
Rpim	0.076	0.035	0.277
Total number of observations	457689
Number of reflections	82345
<I/σ(I)>	5.4
Completeness [%]	81.1	95.8	50.8
Redundancy	5.6	6.1	4.4
CC(1/2)		0.996	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Crystals were grown in a Coy anaerobic chamber under an Ar/H2 gas mixture. OOR was mixed with the well solution containing PEG 3000 and Tacsimate (pH 7.0).