4FHJ

Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2

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	2010-09-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	143.442, 67.300, 106.039
Unit cell angles	90.00, 95.67, 90.00

Refinement procedure

Resolution	44.580 - 2.600
R-factor	0.2128
Rwork	0.211
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qaq
RMSD bond length	0.005
RMSD bond angle	0.939
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	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.071	0.030	0.576
Number of reflections	31165
<I/σ(I)>	11.8
Completeness [%]	99.8	99.8	98.1
Redundancy	3.7	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	19.6% PEG 3350, 0.1M Tris, 0.1M ammonium sulfate, 10 mM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K