5SWP

Crystal Structure of PI3Kalpha in complex with fragments 6 and 24

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	114.120, 116.131, 148.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.410
R-factor	0.2199
Rwork	0.216
R-free	0.29610
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.009
RMSD bond angle	1.366
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]	50.000	50.000	3.520
High resolution limit [Å]	3.400	7.320	3.400
Rmerge	0.121	0.035	0.888
Total number of observations	184879
Number of reflections	27455
<I/σ(I)>	6.9
Completeness [%]	99.9	99.6	99.9
Redundancy	6.7	6.3	6.3

Crystallization Conditions

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