6BUU

Crystal structure of AKT1 (aa 144-480) with a bisubstrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-04
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	86.628, 56.267, 91.837
Unit cell angles	90.00, 105.10, 90.00

Refinement procedure

Resolution	47.000 - 2.400
R-factor	0.1854
Rwork	0.183
R-free	0.22960
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ekk
RMSD bond length	0.016
RMSD bond angle	1.961
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.8.0135)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.070	0.053	0.139
Rmeas	0.084	0.064	0.180
Rpim	0.046	0.037	0.113
Total number of observations	96011
Number of reflections	31906	1765	1021
<I/σ(I)>	17.5
Completeness [%]	94.4	98.7	61.9
Redundancy	3	2.9	1.9
CC(1/2)		0.995	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	20% PEG 3000, 0.1M Hepes HCL, 0.2M Ammonium sulfate