9PNC
Crystal structure of human mitochondrial ClpP protease C144R mutant in complex with imipridone compound, TR-65
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.229, 148.495, 151.334 |
| Unit cell angles | 90.00, 101.44, 90.00 |
Refinement procedure
| Resolution | 49.440 - 2.700 |
| R-factor | 0.2373 |
| Rwork | 0.236 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.177 | |
| Rmeas | 0.194 | |
| Rpim | 0.079 | |
| Number of reflections | 107985 | 9840 |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 97.8 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.997 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 296 | 0.1 M sodium acetate trihydrate, pH 4.6 4% w/v polyethylene glycol 4,000 |
