6EYR

Crystal structure of the salmonella effector SseK3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97640
Spacegroup name	P 21 21 21
Unit cell lengths	73.612, 86.047, 95.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.240 - 2.200
R-factor	0.2191
Rwork	0.217
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	S-SAD structure
RMSD bond length	0.003
RMSD bond angle	0.670
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.240	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.151	0.678
Rmeas	0.162	0.730
Rpim	0.059	0.265
Number of reflections	31246
<I/σ(I)>	7.79
Completeness [%]	99.4
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 8.5, 0.2 M NaCl and 25% PEG3350