4KZC

Structure of PI3K gamma with Imidazopyridine inhibitors

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	2005-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	146.383, 68.313, 108.161
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	41.420 - 3.250
R-factor	0.2361
Rwork	0.235
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.080
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.857	61.857	3.290
High resolution limit [Å]	3.120	9.870	3.120
Rmerge		0.016	0.998
Total number of observations		1719	10246
Number of reflections	18940
<I/σ(I)>	14.2	42	0.8
Completeness [%]	98.8	84.9	100
Redundancy	3.6	3.2	3.7

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