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 |