5SWG

Crystal Structure of PI3Kalpha in complex with fragments 5 and 21

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	114.508, 116.678, 149.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.970 - 3.110
R-factor	0.2093
Rwork	0.206
R-free	0.26190
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.009
RMSD bond angle	1.460
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.970	50.000	3.230
High resolution limit [Å]	3.110	6.720	3.110
Rmerge	0.085	0.037	0.709
Number of reflections	36555
<I/σ(I)>	9.8
Completeness [%]	99.9	99.9	98.8
Redundancy	7.2	6.9	6.1

Crystallization Conditions

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