4TUU

Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	95.15
Detector technology	PIXEL
Collection date	2013-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.689, 136.447, 143.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.640 - 2.640
R-factor	0.211
Rwork	0.209
R-free	0.24500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.120
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.080	2.780
High resolution limit [Å]	2.640	2.640
Number of reflections	34212
<I/σ(I)>	28.6
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	PEG 6K, 0.6 M Na Formate, 0.1M CHES, pH 9.0-10 and 5 mM TCEP, pH 7.0 at a temperature of 20 degC.