8TSD

Human PI3K p85alpha/p110alpha bound to RLY-2608

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11584
Spacegroup name	P 21 21 21
Unit cell lengths	86.902, 121.522, 192.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.780 - 2.700
R-factor	0.2399
Rwork	0.239
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.468
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	192.650	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.073
Rmeas	0.076
Rpim	0.021
Number of reflections	56880	4580
<I/σ(I)>	17
Completeness [%]	100.0	100
Redundancy	13.4	13.2
CC(1/2)	1.000	0.426

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Hepes pH 7.5, 9% PEG-3350