5SX9

Crystal Structure of PI3Kalpha in complex with fragment 14

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	PIXEL
Collection date	2014-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	113.447, 116.100, 147.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.340 - 3.520
R-factor	0.1964
Rwork	0.192
R-free	0.27740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.011
RMSD bond angle	1.556
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.340	50.000	3.630
High resolution limit [Å]	3.500	7.530	3.500
Rmerge	0.108	0.033	0.874
Number of reflections	24477
<I/σ(I)>	7
Completeness [%]	100.0	99.8	100
Redundancy	7.2	6.8	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	NaFormate