5SXB

Crystal Structure of PI3Kalpha in complex with fragment 23

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	114.463, 116.765, 150.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.160 - 3.300
R-factor	0.2078
Rwork	0.204
R-free	0.27820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.010
RMSD bond angle	1.498
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]	92.160	50.000	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.107	0.042	0.988
Number of reflections	31023
<I/σ(I)>	8.7
Completeness [%]	100.0	100	100
Redundancy	7.3	6.7	7.5

Crystallization Conditions

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