1HE9

Crystal structure of the GAP domain of the Pseudomonas aeruginosa ExoS toxin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Wavelength(s)	0.9789,0.9790,0.8856,1.54
Spacegroup name	C 2 2 21
Unit cell lengths	42.897, 55.646, 107.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.257
Rwork	0.257
R-free	0.26500
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.053 *	0.175 *
Total number of observations	68947 *
Number of reflections	5237
<I/σ(I)>	34	8
Completeness [%]	95.3 *	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris	25 (mM)
3	1	reservoir	PEG6000	16 (%)
4	1	reservoir	ammonium sulfate	0.2 (M)
5	1	reservoir		10 (mM)
6	1	reservoir	sodium cacodylate	100 (mM)