3MVH

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 IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	42.354, 55.261, 92.314
Unit cell angles	90.00, 102.64, 90.00

Refinement procedure

Resolution	50.000 - 2.010
R-factor	0.181
Rwork	0.178
R-free	0.23000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.028
RMSD bond angle	2.181
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.170	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.085	0.155
Number of reflections	27827
<I/σ(I)>	26.1
Completeness [%]	99.5	98.2
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1