8UW2

Structure of AKT1(E17K) with compound 3 (zinc-free)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0387
Spacegroup name	C 2 2 21
Unit cell lengths	76.008, 87.632, 197.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.820 - 2.200
R-factor	0.2231
Rwork	0.220
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.820	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	33593	3290
<I/σ(I)>	15.6
Completeness [%]	99.0
Redundancy	2
CC(1/2)	0.988	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	19% PEG3350, 200 mM Li2SO4, 100 mM BisTris Propane pH 8.5, 10% ethylene glycol