8BL0
Human Sirt6 in complex with the inhibitor S6023 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 | 2018-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.563, 91.563, 142.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.780 - 1.820 |
| R-factor | 0.2027 |
| Rwork | 0.201 |
| R-free | 0.23930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.503 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.560 | 1.930 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmeas | 0.180 | 3.260 |
| Number of reflections | 59922 | 9177 |
| <I/σ(I)> | 11.74 | 0.83 |
| Completeness [%] | 99.0 | 94.1 |
| Redundancy | 16.7 | 16.1 |
| CC(1/2) | 0.998 | 0.467 |
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 |
