6GL3

Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.468, 69.484, 172.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.420 - 2.770
R-factor	0.278
Rwork	0.276
R-free	0.33300
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.420	2.842
High resolution limit [Å]	2.770	2.770
Number of reflections	19839	1398
<I/σ(I)>	15.05	2.72
Completeness [%]	97.0	98.85
Redundancy	2.8	2.8
CC(1/2)	0.997	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium citrate, 22% (w/v) PEG3350, 10 mM Manganese(II)chloride