5SXK

Crystal Structure of PI3Kalpha in complex with fragment 18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-10
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	113.282, 115.838, 148.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.450 - 3.550
R-factor	0.1975
Rwork	0.193
R-free	0.27800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.011
RMSD bond angle	1.544
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]	91.450	50.000	3.610
High resolution limit [Å]	3.550	9.610	3.550
Rmerge	0.137	0.045	0.934
Number of reflections	24161
<I/σ(I)>	6.4
Completeness [%]	99.7	94.2	99.6
Redundancy	6.4	6	5

Crystallization Conditions

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