5ODE

Structure of a novel oxidoreductase from Gloeobacter violaceus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99986
Spacegroup name	I 2 2 2
Unit cell lengths	57.229, 136.419, 267.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.772 - 2.196
R-factor	0.2473
Rwork	0.246
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jri
RMSD bond length	0.003
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12rc1_2801: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.772	2.270
High resolution limit [Å]	2.195	2.195
Rmerge	0.099	1.031
Rpim	0.031	0.325
Number of reflections	38467	1912
<I/σ(I)>	16.8	2.1
Completeness [%]	96.4	95.7
Redundancy	12.5	11.4
CC(1/2)	0.998	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES, pH 7.5 1.5 M Lis2SO4