8UVY
Structure of AKT1(E17K) with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 2.0.1 |
| Synchrotron site | ALS |
| Beamline | 2.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0387 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.836, 87.378, 197.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.540 - 2.110 |
| R-factor | 0.2089 |
| Rwork | 0.206 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.978 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.540 | 2.285 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Number of reflections | 38143 | 3754 |
| <I/σ(I)> | 8.13 | |
| Completeness [%] | 99.9 | 99.92 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.998 | 0.272 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 29% PEG3350, 200 mM Li2SO4, 100 mM BisTris Propane pH 8.5, 10% ethylene glycol |
