7CDV

STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	35.530, 119.440, 121.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.660 - 2.100
R-factor	0.204
Rwork	0.202
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gv0
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (DEV_1932)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge		0.330
Number of reflections	31202	31202
<I/σ(I)>	9.6	3.7
Completeness [%]	99.7	99.9
Redundancy	3.5	3.6

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, 1%(W/V) TRYPTONE, VAPOR DIFFUSION, TEMPERATURE 293K