7JIS

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F

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	2014-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	90.453, 108.255, 142.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.170 - 2.420
R-factor	0.2215
Rwork	0.221
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	previously determined structure
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.170	2.670
High resolution limit [Å]	2.420	2.420
Rmeas	0.062	0.637
Number of reflections	53166	13527
<I/σ(I)>	14.26	3.28
Completeness [%]	98.4	99.1
Redundancy	4.3	4.3
CC(1/2)	0.997	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	16% PEG6000, 0.10 M KCL, 0.10 M MES pH 6.0