4KZ0

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	2005-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	142.635, 67.322, 106.347
Unit cell angles	90.00, 96.37, 90.00

Refinement procedure

Resolution	53.830 - 2.870
R-factor	0.2089
Rwork	0.206
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.498
RMSD bond angle	1.190
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]	53.830	53.830	3.020
High resolution limit [Å]	2.870	9.060	2.870
Rmerge		0.040	0.705
Total number of observations		2511	9577
Number of reflections	22756
<I/σ(I)>	8.8	15.7	1.1
Completeness [%]	97.7	94	99.4
Redundancy	3.5	3.4	2.9

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