7RSP

Structure of the VPS34 kinase domain with compound 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	64.320, 117.910, 90.400
Unit cell angles	90.00, 109.54, 90.00

Refinement procedure

Resolution	43.054 - 1.670
R-factor	0.208
Rwork	0.208
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO
Data reduction software	XDS (BUILT=20190315)
Data scaling software	XSCALE (BUILT=20161205)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.054	43.054	1.710
High resolution limit [Å]	1.670	7.470	1.670
Rmerge	0.047	0.009	1.516
Rmeas	0.056	0.011	1.788
Total number of observations	496296
Number of reflections	145165	1669	10615
<I/σ(I)>	18.06	101.25	1.05
Completeness [%]	98.8	98.2	98
Redundancy	3.419	3.307	3.489
CC(1/2)	1.000	1.000	0.487

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