5EDS

Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	144.301, 68.234, 106.620
Unit cell angles	90.00, 95.12, 90.00

Refinement procedure

Resolution	40.000 - 2.800
R-factor	0.2124
Rwork	0.208
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wwp
RMSD bond length	0.007
RMSD bond angle	1.067
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.070	0.032	0.552
Total number of observations	85045
Number of reflections	25882
<I/σ(I)>	12.9
Completeness [%]	99.2	97.4	99.8
Redundancy	3.3	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	20% PEG 3350, 0.1 M Tris (pH 7.3), 0.25 M ammonium sulfate, 2 mM DTT