4FHK

Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e

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	2009-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	144.544, 67.931, 106.487
Unit cell angles	90.00, 95.40, 90.00

Refinement procedure

Resolution	40.960 - 3.000
R-factor	0.2238
Rwork	0.222
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qaq
RMSD bond length	0.005
RMSD bond angle	0.840
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	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.076	0.038	0.638
Number of reflections	21084
<I/σ(I)>	11.7
Completeness [%]	99.9	99.7	100
Redundancy	3.7	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	21% PEG 3350, 0.1M Tris, 0.2M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K