3CQU

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	42.487, 55.507, 93.359
Unit cell angles	90.00, 105.24, 90.00

Refinement procedure

Resolution	45.040 - 2.200
R-factor	0.207
Rwork	0.203
R-free	0.28300
RMSD bond length	0.029
RMSD bond angle	2.200
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]	45.040	45.040	2.090
High resolution limit [Å]	2.020	4.350	2.020
Rmerge	0.105	0.042	0.389
Total number of observations		12060	9664
Number of reflections	27699
<I/σ(I)>	7.8	23.1	2.8
Completeness [%]	99.8	99.9	98.6
Redundancy	4.08	4.2	3.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1