3MJW

PI3 Kinase gamma with a benzofuranone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Detector technology	CCD
Collection date	2007-02-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	145.600, 68.573, 107.246
Unit cell angles	90.00, 95.02, 90.00

Refinement procedure

Resolution	36.227 - 2.870
Rwork	0.225
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e8y
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.870	2.870
Rmerge	0.083	0.630
Number of reflections	22212
<I/σ(I)>	13.7	1.07
Completeness [%]	91.7	46.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	19% PEG 4000, 0.25 M (NH4)2SO4, 0.1 M TRIS PH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K