6QCN
Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin
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 | 2018-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.214, 78.302, 114.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.220 - 2.230 |
| R-factor | 0.21053 |
| Rwork | 0.209 |
| R-free | 0.23405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mar |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.097 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.220 | 2.370 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmeas | 0.280 | 1.900 |
| Number of reflections | 34574 | 5353 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 7.4 | 7.4 |
| CC(1/2) | 0.976 | 0.282 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 14% PEG 10,000, 0.1M ammonium acetate pH 5.8 |
