6IAI

StoD is a novel Salmonella Typhi type III secretion system E3 ubiquitin ligase effector

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	120
Detector technology	PIXEL
Collection date	2013-01-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.972
Spacegroup name	P 43 2 2
Unit cell lengths	92.960, 92.960, 156.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.650 - 2.540
R-factor	0.2173
Rwork	0.216
R-free	0.24450
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.650	2.610
High resolution limit [Å]	2.540	2.540
Number of reflections	23299
<I/σ(I)>	30.8
Completeness [%]	99.8
Redundancy	26.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	60% 0.9 M Na malonate, 0.5% Jeffamine, 0.1M HEPES pH 6.5