6PYS

Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	58.440, 133.914, 141.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.330 - 2.190
R-factor	0.2248
Rwork	0.224
R-free	0.25910
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.330	2.440
High resolution limit [Å]	2.190	2.190
Rmerge	0.054	0.594
Rmeas	0.061	0.042
Number of reflections	57664	15711
<I/σ(I)>	16.58	3.32
Completeness [%]	99.2	99
Redundancy	4.7	4.7
CC(1/2)	0.998	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	not available