7RSJ

Structure of the VPS34 kinase domain with compound 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97910
Spacegroup name	P 2 21 21
Unit cell lengths	61.302, 107.386, 110.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.011 - 1.881
R-factor	0.1695
Rwork	0.168
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO
Data reduction software	XDS (BUILT=20190315)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.500	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.099	1.450
Number of reflections	59229	32696
<I/σ(I)>	12.6
Completeness [%]	98.7	86
Redundancy	6.3	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.2M Potassium/Sodium tartrate 0.1M Bis-Tris propane pH7.5, 20% PEG3350 0.7% v/v 1-butanol