7LSV

Non-kinase domain of Legionella effector protein kinase LegK2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-22
Detector	RAYONIX MX300HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	43.310, 54.750, 71.650
Unit cell angles	90.00, 107.04, 90.00

Refinement procedure

Resolution	42.769 - 1.580
R-factor	0.1785
Rwork	0.177
R-free	0.20500
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.769	42.769	1.620
High resolution limit [Å]	1.580	7.070	1.580
Rmerge	0.049	0.016	0.916
Rmeas	0.054	0.018	1.009
Total number of observations	248836
Number of reflections	43414	515	3169
<I/σ(I)>	23.89	86.83	2.06
Completeness [%]	98.4	97.2	97.1
Redundancy	5.732	5.247	5.749
CC(1/2)	1.000	1.000	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	288	1.4 M Malonate