9TMZ
Akt1 mutant in complex with the 1-isopropyl 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 MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-28 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.880, 71.320, 68.010 |
| Unit cell angles | 90.00, 107.26, 90.00 |
Refinement procedure
| Resolution | 48.020 - 2.200 |
| R-factor | 0.2018 |
| Rwork | 0.200 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.961 |
| 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] | 48.020 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.170 | 1.097 |
| Number of reflections | 23061 | 2895 |
| <I/σ(I)> | 8.69 | |
| Completeness [%] | 99.0 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.995 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 6% PEG 1500, 0.1 M MMT pH 5.3, solution seeding |
