8UW7

Structure of AKT1(WT) with compound 3

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	2022-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.116
Spacegroup name	C 2 2 21
Unit cell lengths	76.305, 87.707, 198.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.570 - 1.972
R-factor	0.2201
Rwork	0.218
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.071
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]	57.570	2.042
High resolution limit [Å]	1.972	1.972
Number of reflections	47017	4345
<I/σ(I)>	24.74
Completeness [%]	99.2
Redundancy	2
CC(1/2)	1.000	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	19% PEG3350, 200 mM Na2SO4, 100 mM BisTris Propane pH 7.2, 10% ethylene glycol