5EXD

Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-di-oxido-methyl-TPP (COOM-TPP) intermediate

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	2014-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 43
Unit cell lengths	138.430, 138.430, 217.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.942 - 2.500
R-factor	0.2066
Rwork	0.196
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4i
RMSD bond length	0.003
RMSD bond angle	0.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge		0.641
Number of reflections	131808
<I/σ(I)>	6.8	1.9
Completeness [%]	93.2	64.5
Redundancy	4.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	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).