5EUQ

Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	48.900, 103.490, 188.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.340 - 3.200
R-factor	0.2359
Rwork	0.233
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d0l
RMSD bond length	0.003
RMSD bond angle	0.613
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.340	48.900	3.310
High resolution limit [Å]	3.200	9.050	3.200
Rmerge	0.109	0.035	0.702
Number of reflections	16316
<I/σ(I)>	8.9	22.3	2.11
Completeness [%]	98.6	96.5	99.44
Redundancy	4.1	3.6	4
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	290	PEG-4000, sodium citrate, ammonium sulfate, glycerol