3TJP

Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	142.145, 67.395, 106.180
Unit cell angles	90.00, 96.49, 90.00

Refinement procedure

Resolution	51.618 - 2.700
R-factor	0.213
Rwork	0.210
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p2b
RMSD bond length	0.002
RMSD bond angle	0.584
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.499	105.409	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.068	0.048	0.577
Total number of observations		3413	11896
Number of reflections	27401
<I/σ(I)>	17.7	11.1	1.2
Completeness [%]	98.9	98	93.2
Redundancy	3.9	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	16-19% PEG 4000, 0.2M SODIUM ACETATE,0.1M SODIUM CITRATE, 0.1M TRIS PH 8.5, PROTEIN at 6MG/ML IN 20MM TRIS PH 7.2, 50MM AMMSO4, 1% BETAINE, 1% ETHYLENE GLYCOL, 0.02% CHAPS, 5MM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 291K