5MAT
Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.683, 68.560, 78.462 |
| Unit cell angles | 90.00, 95.66, 90.00 |
Refinement procedure
| Resolution | 44.890 - 2.069 |
| R-factor | 0.2049 |
| Rwork | 0.165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rmg |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.170 | 2.190 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.088 | 0.424 |
| Number of reflections | 38188 | |
| <I/σ(I)> | 9.82 | 2.37 |
| Completeness [%] | 98.9 | 98.1 |
| Redundancy | 2.7 | 2.6 |
| CC(1/2) | 0.995 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.83 | 293 | 2.6M ammonium sulfate, 5% PEG 300, 0.1 M MES |
