5NNY

Crystal structure of the phosphatase domain from the Legionella effector WipB

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 PILATUS3 S 6M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	49.400, 79.100, 79.700
Unit cell angles	90.00, 98.70, 90.00

Refinement procedure

Resolution	48.832 - 1.700
R-factor	0.1888
Rwork	0.187
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n6x
RMSD bond length	0.007
RMSD bond angle	0.848
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.832	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.116
Number of reflections	66193	4732
<I/σ(I)>	8.73	1.21
Completeness [%]	99.3	97.1
Redundancy	3.6
CC(1/2)	0.996	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	0.23 M ammonium citrate dibasic and 22% PEG3000