5W7M

Crystal structure of RoqN

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	2015-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	49.062, 100.838, 130.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.011 - 1.700
R-factor	0.1847
Rwork	0.182
R-free	0.22520
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.913
Data scaling software	XSCALE
Phasing software	CRANK2
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.011
High resolution limit [Å]	1.700
Rmerge	0.059
Number of reflections	35659
<I/σ(I)>	20.63
Completeness [%]	99.3
Redundancy	6.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	PEG 3350, ethylene glycol, magnesium acetate