9TMY
Akt1 mutant in complex with the 1-ethyl 1,5-substituted pyrazole containing compound
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.110, 71.760, 68.450 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 48.290 - 2.200 |
| R-factor | 0.2044 |
| Rwork | 0.202 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.290 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.105 | 0.116 |
| Number of reflections | 23265 | 9155 |
| <I/σ(I)> | 8.67 | |
| Completeness [%] | 98.4 | 98.2 |
| Redundancy | 3.20395 | |
| CC(1/2) | 0.997 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 6% PEG 1500, 0.1M MMT pH 5.3, solution seeding |
