5SXC

Crystal Structure of PI3Kalpha in complex with fragment 8

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	114.735, 117.271, 150.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.460 - 3.550
R-factor	0.1974
Rwork	0.194
R-free	0.26760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ovu
RMSD bond length	0.011
RMSD bond angle	1.531
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]	92.460	50.000	3.680
High resolution limit [Å]	3.550	7.640	3.550
Rmerge	0.113	0.038	0.848
Number of reflections	25308
<I/σ(I)>	7.2
Completeness [%]	100.0	100	100
Redundancy	7.3	6.6	7.5

Crystallization Conditions

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