5N0J

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	2016-06-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99989
Spacegroup name	I 2 2 2
Unit cell lengths	57.842, 143.325, 265.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.728 - 1.949
R-factor	0.2033
Rwork	0.202
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jri
RMSD bond length	0.011
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.730	2.019
High resolution limit [Å]	1.949	1.949
Rmerge	0.170	2.840
Number of reflections	80406
<I/σ(I)>	9.19	0.88
Completeness [%]	99.0	95.71
Redundancy	10	10
CC(1/2)	0.997	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.5 M Li2SO4 0.1 M HEPES, pH 7.5 Crystals were soaked for 5 min in a solution of mother liquor plus 0.1 M reduced Glutathione, immersed in a solution of mother liquor containing 25% Ethylene glycol and immediately flash-frozen in liquid nitrogen