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 |