9TMU
Akt1 mutant in complex with the trimethyl 1,4-substituted pyrazole compound
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-04 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.620, 71.330, 67.290 |
| Unit cell angles | 90.00, 106.61, 90.00 |
Refinement procedure
| Resolution | 47.830 - 2.400 |
| R-factor | 0.2282 |
| Rwork | 0.226 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.570 |
| 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] | 47.830 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.115 | 0.956 |
| Number of reflections | 17674 | 2018 |
| <I/σ(I)> | 11.38 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.55 | |
| CC(1/2) | 0.998 | 0.638 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 7% PEG 1500 0.1 M MMT, solution seeding |
