4G2S

Crystal structure of a Salmonella type III secretion system protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	33.940, 120.580, 78.280
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	47.690 - 1.858
R-factor	0.2308
Rwork	0.229
R-free	0.25710
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.836
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.745	47.643	1.960
High resolution limit [Å]	1.858	5.880	1.858
Rmerge		0.032	0.227
Total number of observations		3367	14720
Number of reflections	50809
<I/σ(I)>	10.7	15	3.3
Completeness [%]	96.8	94.2	89.4
Redundancy	2.2	2.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	15-20% PEG6000, 0.02 M calcium chloride, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K