5SX8

Crystal Structure of PI3Kalpha in complex with fragments 12 and 15

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	113.890, 116.330, 148.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.490 - 3.470
R-factor	0.2106
Rwork	0.207
R-free	0.27590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.009
RMSD bond angle	1.313
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]	91.490	50.000	3.570
High resolution limit [Å]	3.450	7.430	3.450
Rmerge	0.098	0.043	0.925
Number of reflections	25993
<I/σ(I)>	8
Completeness [%]	99.9	99.7	100
Redundancy	7.3	6.7	7.4

Crystallization Conditions

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