8BQ4

Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 2
Unit cell lengths	120.090, 78.860, 96.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.440 - 2.420
R-factor	0.223
Rwork	0.222
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gk9
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.440	2.460
High resolution limit [Å]	2.420	2.420
Rmeas	0.079
Number of reflections	35432	1773
<I/σ(I)>	11.4
Completeness [%]	98.8
Redundancy	6.4
CC(1/2)	0.999	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% w/v Peg3350, 0.3 M Ammonium Tartrate