7LQ1

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28

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	2013-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	90.551, 108.590, 142.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.350 - 2.960
R-factor	0.2146
Rwork	0.213
R-free	0.28050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PREVIOUSLY DERIVED MODEL
RMSD bond length	0.007
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	REFMAC (5.6.0117)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.350	3.200
High resolution limit [Å]	2.960	2.960
Rmeas	0.116	0.737
Number of reflections	30000	6066
<I/σ(I)>	13.5	2.6
Completeness [%]	99.9	99.8
Redundancy	5.2	5.2

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