9TMW
Akt1 mutant in complex with the 3-ethyl 1-methyl 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 MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-25 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.740, 71.490, 67.800 |
| Unit cell angles | 90.00, 107.56, 90.00 |
Refinement procedure
| Resolution | 39.520 - 2.000 |
| R-factor | 0.2044 |
| Rwork | 0.203 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.660 |
| 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] | 47.950 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.189 | 1.231 |
| Number of reflections | 30397 | 4135 |
| <I/σ(I)> | 7.44 | |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 7.2 | |
| CC(1/2) | 0.991 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 5% PEG 1500 0.1 M MMT pH 5.0, solution seeding |
