6VVD

Legionella pneumophila Lpg2603 kinase bound to IP6

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	2018-11-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97927
Spacegroup name	P 21 21 21
Unit cell lengths	52.928, 73.207, 261.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.540 - 2.650
R-factor	0.2579
Rwork	0.256
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vvc
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.073	0.029	1.988
Rmeas	0.075	0.030	2.052
Rpim	0.017	0.007	0.490
Total number of observations	575456
Number of reflections	30198	1699	1415
<I/σ(I)>	9.4
Completeness [%]	99.2	99.5	96.3
Redundancy	19.1	19.5	15.3
CC(1/2)		0.999	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.75	293	0.1 M sodium acetate, 0.03 M sodium chloride, 1 mm IP6, 45% ethylene glycol