8BL1
Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-07 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.688, 91.688, 144.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.840 - 2.060 |
| R-factor | 0.1801 |
| Rwork | 0.178 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.629 |
| 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] | 45.840 | 2.180 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmeas | 0.190 | 2.690 |
| Number of reflections | 42564 | 6799 |
| <I/σ(I)> | 10.6 | 0.81 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 8.9 | 6.9 |
| CC(1/2) | 0.996 | 0.332 |
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 |
