3MV5

Crystal structure of Akt-1-inhibitor complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	42.706, 55.417, 93.287
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	19.920 - 2.470
R-factor	0.205
Rwork	0.200
R-free	0.28200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.023
RMSD bond angle	2.186
Data reduction software	d*TREK
Data scaling software	d*TREK (8.0SSI)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.540	2.560
High resolution limit [Å]	2.470	2.470
Rmerge	0.082	0.331
Total number of observations		2986
Number of reflections	14895
<I/σ(I)>	10.5	3.1
Completeness [%]	97.0	72.7
Redundancy	3.13	2.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1