5N6X

Crystal structure of the Legionella effector WipA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 41 21 2
Unit cell lengths	80.650, 80.650, 321.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.533 - 1.750
R-factor	0.1807
Rwork	0.180
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WipA411
RMSD bond length	0.007
RMSD bond angle	0.844
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.533	1.840
High resolution limit [Å]	1.750	1.750
Rmeas	0.077
Number of reflections	108230
<I/σ(I)>	13.94	1.25
Completeness [%]	99.9	100
Redundancy	7.3
CC(1/2)	0.998	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Bis-Tris Propane pH7.5, 0.2 M NaBr and 20% PEG 3350