1GZS

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE GEF DOMAIN OF THE SALMONELLA TYPHIMURIUM SOPE TOXIN AND HUMAN Cdc42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-15
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	87.545, 87.545, 200.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.300
R-factor	0.226
Rwork	0.226
R-free	0.25800 *
Structure solution method	MIRAS
RMSD bond length	0.006
RMSD bond angle	1.250 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.112 *	0.328 *
Number of reflections	40507	4737 *
<I/σ(I)>	15.2	5.5
Completeness [%]	99.9	100
Redundancy	8.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		1.9 M (NH4)2SO4, 0.1 M SODIUM CITRATE PH 5.6, 2% PEG400, 0.05 M BETAINE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	44 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9 (M)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6
4	1	reservoir	PEG	2 (%)