6MCP

L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A

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	2017-07-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	106.860, 112.430, 155.220
Unit cell angles	90.00, 105.58, 90.00

Refinement procedure

Resolution	48.668 - 2.500
R-factor	0.1962
Rwork	0.194
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mcq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.668	48.668	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.091	0.035	0.973
Rmeas	0.102	0.039	1.087
Number of reflections	61056	707	4456
<I/σ(I)>	11.26	33.86	1.86
Completeness [%]	99.8	97.9	100
Redundancy	5.091	4.984	5.008
CC(1/2)	0.998	0.999	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	0.1 M HEPES, pH 7.5, 21% PEG600, 0.2 M sodium chloride, 20 mM succinate