7JWZ

IPI-549 bound to the PI3Kg catalytic subunit p110 gamma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	144.320, 67.890, 106.400
Unit cell angles	90.00, 94.53, 90.00

Refinement procedure

Resolution	44.396 - 2.650
R-factor	0.2292
Rwork	0.227
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2chw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.400	2.740
High resolution limit [Å]	2.650	2.650
Rmerge		1.919
Rmeas	0.125
Number of reflections	29724	2941
<I/σ(I)>	7.1	0.69
Completeness [%]	98.9
Redundancy	3.3
CC(1/2)	0.992	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM Tris pH 7.5, 250 mM (NH4)2SO4 and 20-22% PEG 4000