5SXF

Crystal Structure of PI3Kalpha in complex with fragment 9

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	112.346, 115.920, 147.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.070 - 3.460
R-factor	0.1983
Rwork	0.195
R-free	0.26680
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.010
RMSD bond angle	1.483
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]	91.070	50.000	3.510
High resolution limit [Å]	3.450	9.350	3.450
Rmerge	0.112	0.042	0.938
Number of reflections	25565
<I/σ(I)>	7
Completeness [%]	100.0	99.7	100
Redundancy	7.3	6.6	7.4
CC(1/2)		0.999	0.818

Crystallization Conditions

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