7M7A

Legionella pneumophila MavQ lipid kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-11
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97951
Spacegroup name	C 2 2 21
Unit cell lengths	69.399, 210.235, 499.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.310 - 3.200
R-factor	0.2412
Rwork	0.239
R-free	0.28340
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.578
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.168	0.070	1.003
Rmeas	0.171	0.071	1.040
Rpim	0.029	0.012	0.244
Total number of observations	1844250
Number of reflections	60636	3307	2738
<I/σ(I)>	4.5
Completeness [%]	98.8	100	90.5
Redundancy	30.4	37	13.8
CC(1/2)		0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	10% (w/v) PEG 3350, 0.05 M sodium chloride, 0.1 M Hepes, 5 mM magnesium chloride, 5 mM AMP-PNP, 35% ethylene glycol