8UW9

Structure of AKT1(E17K) with compound 4

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	2022-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0387
Spacegroup name	C 2 2 21
Unit cell lengths	76.215, 87.209, 198.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.390 - 1.900
R-factor	0.2067
Rwork	0.205
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.042
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]	36.390	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	52272	5173
<I/σ(I)>	10.89
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.999	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	15% PEG3350, 200 mM Li2SO4, 100 mM BisTris Propane pH 6.5, 10% ethylene glycol