9V0H
Crystal structure of human SIRT5 in complex with inhibitor 0904
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2024-10-12 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.370, 56.062, 66.125 |
| Unit cell angles | 108.55, 104.66, 89.87 |
Refinement procedure
| Resolution | 48.490 - 1.665 |
| R-factor | 0.2052 |
| Rwork | 0.204 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.187 |
| Data reduction software | autoPX |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 | 1.710 |
| High resolution limit [Å] | 1.660 | 1.710 | 1.660 |
| Rmerge | 0.122 | ||
| Rmeas | 0.146 | ||
| Number of reflections | 62643 | 4527 | 4549 |
| <I/σ(I)> | 10.54 | ||
| Completeness [%] | 96.3 | ||
| Redundancy | 3.31 | ||
| CC(1/2) | 0.531 | 0.439 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 23%-27% (v/v) PEG 3350, 0.1 M MES, pH 5.5-6.0, 0.1-0.2 M NaCl |
