7RSV

Structure of the VPS34 kinase domain with compound 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	64.706, 119.027, 91.287
Unit cell angles	90.00, 108.95, 90.00

Refinement procedure

Resolution	34.502 - 1.780
R-factor	0.1797
Rwork	0.179
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo
Data reduction software	XDS (BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.680	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.074	9.900
Rmeas	0.088	34.198
Rpim	0.048	23.860
Number of reflections	238821	594
<I/σ(I)>	6.7
Completeness [%]	69.2	4.1
Redundancy	3.3	1.9
CC(1/2)	0.998	0.042

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