6QCD
Human Sirt6 in complex with ADP-ribose and the activator 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 | 2017-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.366, 91.366, 143.925 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.680 - 1.840 |
| R-factor | 0.16944 |
| Rwork | 0.168 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.866 |
| 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] | 47.980 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmeas | 0.120 | 1.760 |
| Number of reflections | 58932 | 9411 |
| <I/σ(I)> | 11.6 | 1.12 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.999 | 0.479 |
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 |
