3CQW

Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.505, 55.879, 92.864
Unit cell angles	90.00, 102.36, 90.00

Refinement procedure

Resolution	45.360 - 2.000
R-factor	0.203
Rwork	0.200
R-free	0.25700
RMSD bond length	0.022
RMSD bond angle	1.660
Data scaling software	d*TREK (8.0SSI)
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.360	45.360	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.064	0.023	0.356
Total number of observations		11012	9838
Number of reflections	28544
<I/σ(I)>	13	38.1	3.1
Completeness [%]	98.6	100	96.8
Redundancy	3.66	3.69	3.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1