6XV1
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
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 | 2019-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.175, 91.175, 143.584 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.590 - 1.950 |
| R-factor | 0.1502 |
| Rwork | 0.150 |
| R-free | 0.16450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k35 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.121 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.160 | 1.610 |
| Number of reflections | 49197 | 7868 |
| <I/σ(I)> | 11.3 | 1.7 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 11.5 | 11.4 |
| CC(1/2) | 0.997 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 100 mM Bis-Tris pH 5.7, 1.6 M (NH4)2SO4, and 10% PEG 400 |
