6DUS

Structure of Salmonella Effector SseK3 E258Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	96.490, 107.120, 74.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.730 - 2.600
R-factor	0.18
Rwork	0.178
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.740	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	24555	12225
<I/σ(I)>	18.75
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.990	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.5M NaCl, 0.1M Tris pH8.5, 12% PEG 3350 5%MPD