5SW8

Crystal structure of PI3Kalpha in complex with fragments 7 and 11

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	115.648, 117.819, 152.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.240 - 3.300
R-factor	0.2294
Rwork	0.226
R-free	0.29840
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.011
RMSD bond angle	1.614
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]	93.240	50.000	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.101	0.042	0.734
Number of reflections	31971
<I/σ(I)>	9
Completeness [%]	99.9	99.9	99.7
Redundancy	7.1	6.9	6.7

Crystallization Conditions

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