4OVV

Crystal Structure of PI3Kalpha in complex with diC4-PIP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	114.259, 116.083, 148.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.510 - 3.500
R-factor	0.2418
Rwork	0.237
R-free	0.33880
RMSD bond length	0.015
RMSD bond angle	1.865
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.360	9.100	3.360
Rmerge	0.103	0.036	0.712
Total number of observations	256465
Number of reflections	28636
<I/σ(I)>	10.9
Completeness [%]	99.9	98.4	100
Redundancy	9	8	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	NaFormate