5W7K

Crystal structure of OxaG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	121.628, 36.208, 126.304
Unit cell angles	90.00, 102.83, 90.00

Refinement procedure

Resolution	49.315 - 1.994
R-factor	0.2223
Rwork	0.220
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.968
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.315
High resolution limit [Å]	1.990
Rmerge	0.124
Number of reflections	36979
<I/σ(I)>	9.84
Completeness [%]	99.1
Redundancy	6.4
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	PEG 3350, MPD, magnesium chloride, bis-tris