5ENN

The crystal structure of Human VPS34 in complex with a selective and potent inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	113.726, 114.481, 143.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 2.700
R-factor	0.1749
Rwork	0.173
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.010	48.010	2.690
High resolution limit [Å]	2.550	8.070	2.550
Rmerge		0.023	0.570
Rpim		0.012	0.282
Total number of observations		9569	44368
Number of reflections	61540
<I/σ(I)>	15.1	34	2.5
Completeness [%]	99.6	98.6	99.4
Redundancy	4.8	4.6	5
CC(1/2)		0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	200nL:200nL well to protein 0.2M Sodium Acetate 0.1M HEPES 7.5 20% PEG 3000