5TWC

Oxidoreductase IruO in the oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975302
Spacegroup name	P 41 21 2
Unit cell lengths	90.591, 90.591, 138.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.880 - 2.310
R-factor	0.1845
Rwork	0.183
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.880
High resolution limit [Å]	2.310
Rmerge	0.062
Number of reflections	26076
<I/σ(I)>	28
Completeness [%]	99.9
Redundancy	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2.0-3.0 M sodium formate pH 7.0