2X6F

THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH 3-METHYLADENINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-11
Detector	ADSC QUANTUM 315r
Spacegroup name	I 21 21 21
Unit cell lengths	112.070, 155.140, 244.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.130 - 3.300
R-factor	0.245
Rwork	0.242
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x6h
RMSD bond length	0.011
RMSD bond angle	1.647
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.920	3.480
High resolution limit [Å]	3.300	3.300
Rmerge	0.100	0.690
Number of reflections	31665
<I/σ(I)>	4.99	1.04
Completeness [%]	98.2	99.7
Redundancy	3.6	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		PROTEIN WAS CRYSTALLISED IN 0.88M AMMONIUM SULPHATE, 100MM DI-POTASSIUM HYDROGEN PHOSPHATE AND 100MM DI-SODIUM HYDROGEN PHOSPHATE (TITRATED TO PH 7.5 WITH ORTHOPHOSPHORIC ACID). PROTEIN WAS SOAKED WITH 1MM 3-MA IN MOTHER LIQUOR.