5MFZ
Human Sirt6 in complex with small molecule UBCS40
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 | 2016-06-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.364, 91.364, 144.212 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.680 - 2.100 |
| R-factor | 0.16933 |
| Rwork | 0.167 |
| R-free | 0.20806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.447 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.070 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmeas | 0.161 | 1.095 |
| Number of reflections | 39828 | |
| <I/σ(I)> | 12.89 | |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 11.4 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 1.6 M (NH4)2SO4, 10% PEG 400, and Bis-Tris buffer pH 5.7 |
