5H4D
Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 197 |
| Detector technology | PIXEL |
| Collection date | 2006-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 |
| Unit cell lengths | 114.560, 114.560, 123.404 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 77.320 - 3.210 |
| R-factor | 0.2202 |
| Rwork | 0.213 |
| R-free | 0.37160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.309 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.320 | 50.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 8.670 | 3.200 |
| Rmerge | 0.174 | 0.082 | 0.743 |
| Number of reflections | 5871 | ||
| <I/σ(I)> | 2.4 | ||
| Completeness [%] | 59.5 | 50.1 | 65.7 |
| Redundancy | 1.2 | 1.6 | 1.1 |
| CC(1/2) | 0.959 | 0.323 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.1M HEPES sodium pH 7.5, 10%(v/v) 2-Propanol, 20%(w/v) Polyethylene glycol 4,000 |
