3O96
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.310, 69.940, 61.850 |
| Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
| Resolution | 24.700 - 2.700 |
| R-factor | 0.249 |
| Rwork | 0.245 |
| R-free | 0.30800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CODES 1MRV and 1UNP |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.078 | 0.382 |
| Number of reflections | 11462 | |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 50 mM acetate-citrate buffer, 21% PEG MME 2000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
