3P2B

Crystal Structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3-ylamino)pyrimidin-4-yl)phenol

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	2009-11-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	141.120, 66.780, 105.970
Unit cell angles	90.00, 96.95, 90.00

Refinement procedure

Resolution	70.040 - 3.200
R-factor	0.1866
Rwork	0.182
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.191	70.042	3.210
High resolution limit [Å]	3.050	9.640	3.050
Rmerge		0.031	0.524
Total number of observations		1961	8817
Number of reflections	17914
<I/σ(I)>	10.2	18.3	1.5
Completeness [%]	99.2	97.9	99.9
Redundancy	3.2	3.2	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] ~6mg/mL in 20mM Tris pH 7.2, 50mM AmmSO4, 1% Betaine, 1% Ethylene Glycol, 0.02% CHAPS, 5mM DTT Drop: 1uL + 1uL, VAPOR DIFFUSION, HANGING DROP, temperature 291K