6PYU

Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-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	2015-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	90.439, 108.587, 142.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.390 - 2.540
R-factor	0.2408
Rwork	0.240
R-free	0.29160
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.214
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]	86.390	2.790
High resolution limit [Å]	2.540	2.540
Rmerge	0.093	0.987
Rmeas	0.102	0.110
Number of reflections	46030	11174
<I/σ(I)>	11.78	18.3
Completeness [%]	98.1	98.4
Redundancy	6	5.9
CC(1/2)	0.992	0.985

Crystallization Conditions

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