6EYT

Crystal structure of the Salmonella effector SseK3 in complex with UDP-GlcNAc and Manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	73.970, 85.940, 96.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 2.210
R-factor	0.1985
Rwork	0.196
R-free	0.24080
RMSD bond length	0.005
RMSD bond angle	0.777
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.010
High resolution limit [Å]	2.210
Rmerge	0.181	1.034
Rmeas	0.197	1.185
Rpim	0.079	0.564
Number of reflections	30891
<I/σ(I)>	6.99	1.18
Completeness [%]	98.5	91.72
Redundancy	6	3.8
CC(1/2)		0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M TRIS pH 8.5, 0.2 M NaCl, 25% PEG3350