4PS3

Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	98
Detector technology	CCD
Collection date	2005-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	143.689, 67.788, 106.120
Unit cell angles	90.00, 96.16, 90.00

Refinement procedure

Resolution	105.507 - 2.900
R-factor	0.21353
Rwork	0.211
R-free	0.25889
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.507
High resolution limit [Å]	2.900	2.900
Number of reflections	25502
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	25% PEG3350, 200 mM lithium sulfate, 10 mM DTT, 10 mM EDTA, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K