7LM2

HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C

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	2013-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	91.284, 109.308, 142.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.750 - 2.790
R-factor	0.2415
Rwork	0.240
R-free	0.28950
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	previously derived model
RMSD bond length	0.008
RMSD bond angle	1.042
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.750	3.010
High resolution limit [Å]	2.790	2.790
Rmeas	0.066	0.673
Number of reflections	36279	7346
<I/σ(I)>	5.5	1.3
Completeness [%]	100.0	99.9
Redundancy	8.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	12-14% PEG6000, 100 MM MES/NAOH, PH 5.75, 5 MM DTT