7CDX

Complex STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR with its effector sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9985
Spacegroup name	P 21 21 21
Unit cell lengths	35.678, 120.146, 122.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.832 - 2.103
R-factor	0.2275
Rwork	0.225
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cdv
RMSD bond length	0.010
RMSD bond angle	1.268
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Rpim	0.090
Number of reflections	58464	31106
<I/σ(I)>	14.7
Completeness [%]	99.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.05M HEPES-Na pH 7.0, 20% PEG 3350