6OCO

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6

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	2013-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	91.017, 108.981, 142.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.540 - 2.580
R-factor	0.2596
Rwork	0.259
R-free	0.29600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.022
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.540	2.830
High resolution limit [Å]	2.580	2.580
Rmerge	0.064	0.541
Rmeas	0.068	0.578
Number of reflections	45261	201
<I/σ(I)>	18.9	4.28
Completeness [%]	99.9	99.8
Redundancy	8.2	8.2
CC(1/2)	0.998	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	16.60 % PEG6000 0.10 M KCl 0.10 M MES pH=6.00