6VVC

Legionella pneumophila Lpg2603 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	2016-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	62.961, 62.961, 176.407
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.480 - 2.100
R-factor	0.1798
Rwork	0.177
R-free	0.21190
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.583
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXE
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.083	0.055	0.570
Rmeas	0.090	0.060	0.682
Rpim	0.035	0.024	0.362
Total number of observations	141650
Number of reflections	24083	1356	1064
<I/σ(I)>	9
Completeness [%]	98.4	99	90.9
Redundancy	5.9	6.7	2.3
CC(1/2)		0.996	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% w/v PEG3350, 0.2 M lithium chloride, 0.03 M sodium chloride, 30% ethylene glycol