3SOL

Crystal structure of the type 2 secretion system pilotin GspS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9794
Spacegroup name	P 61 2 2
Unit cell lengths	73.350, 73.350, 70.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.260 - 1.900
R-factor	0.1916
Rwork	0.190
R-free	0.22160
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.261		1.950
High resolution limit [Å]	1.900	8.480	1.900
Rmerge	0.085	0.010	0.010
Number of reflections	16858	192	1225
<I/σ(I)>	24.39	94.57	2.47
Completeness [%]	99.9	99.5	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M MG CHLORIDE, 0.1M TRIS-HCL, 30% PEG3350, pH 8.5, vapor diffusion, sitting drop, temperature 298K