7JWE

Gedatolisib 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]	77
Detector technology	PIXEL
Collection date	2019-08-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	143.500, 67.620, 106.330
Unit cell angles	90.00, 95.43, 90.00

Refinement procedure

Resolution	44.590 - 2.550
R-factor	0.2112
Rwork	0.209
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jha
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.590	2.641
High resolution limit [Å]	2.550	2.550
Rmerge	0.061	1.349
Rmeas	0.073	1.602
Rpim	0.039	0.856
Number of reflections	33183	3303
<I/σ(I)>	11.91	0.87
Completeness [%]	99.4	99.4
Redundancy	3.3	3.4
CC(1/2)	0.999	0.385

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