8AM0

Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	99.810, 107.680, 136.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.390 - 2.818
R-factor	0.2861
Rwork	0.285
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l1b
RMSD bond length	0.007
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.386	2.626
High resolution limit [Å]	2.436	2.436
Rmeas	0.284	2.395
Rpim	0.066	0.546
Number of reflections	44827	2241
<I/σ(I)>	8.2	1.4
Completeness [%]	80.7	20.3
Redundancy	18.6	19.1
CC(1/2)	0.996	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	0.10 M Bis-Tris-Propane pH 8.10, 0.20 M Na 3 -citrate, 10.00 %(w/v) PEG 3350