5GXO
Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 80.120, 80.120, 242.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.740 - 2.300 |
| R-factor | 0.21498 |
| Rwork | 0.213 |
| R-free | 0.24975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1szx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.297 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.740 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.220 |
| Number of reflections | 21413 | |
| <I/σ(I)> | 17.8 | 10.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 16.1 | 17.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.5M potassium phosphate pH 7.0 |
