5KAE

Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	143.578, 67.661, 106.197
Unit cell angles	90.00, 95.05, 90.00

Refinement procedure

Resolution	45.000 - 2.650
R-factor	0.2039
Rwork	0.201
R-free	0.25190
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4wwn
RMSD bond length	0.008
RMSD bond angle	1.182
Data reduction software	HKL-2000
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	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.053	0.033	0.421
Number of reflections	28948
<I/σ(I)>	13.2		2.5
Completeness [%]	97.3	99.9	80
Redundancy	3.6	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	298	20% PEG 3350, 250 mM ammonium sulfate, 100 mM Tris (pH 7.3), 2 mM dithiothreitol