4WAG

Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918417
Spacegroup name	P 43
Unit cell lengths	108.353, 108.353, 55.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.141 - 3.407
R-factor	0.2121
Rwork	0.209
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.140
High resolution limit [Å]	3.407
Number of reflections	8935
<I/σ(I)>	5.81
Completeness [%]	99.8
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% w/v PEG 4000, 20% v/v glycerol 0.1 M MOPS/HEPES-Na pH 7.5