9TMT
Akt1 mutant in complex with the 3,5-dimethyl 1,4-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 | 50.010, 71.320, 68.010 |
| Unit cell angles | 90.00, 107.49, 90.00 |
Refinement procedure
| Resolution | 47.700 - 2.100 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.646 |
| 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] | 47.700 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.149 | 1.060 |
| Rmeas | 0.160 | 1.060 |
| Number of reflections | 26624 | 3422 |
| <I/σ(I)> | 9.55 | 2 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 7.03 | |
| CC(1/2) | 0.997 | 0.668 |
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 |
