5MAR
Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.
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 | 2016-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.557, 76.709, 113.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.930 - 1.890 |
| Rwork | 0.173 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgv |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.930 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.090 | 0.741 |
| Number of reflections | 103676 | |
| <I/σ(I)> | 14.4 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.2 |
| CC(1/2) | 0.999 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 15-18 % PEG 10,000, 0.1M ammonium acetate, and 0.1M Bis-Tris pH 5.8 |
