6XV6
Human Sirt6 3-318 in complex with 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 | 2019-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.689, 136.310, 90.096 |
| Unit cell angles | 90.00, 117.37, 90.00 |
Refinement procedure
| Resolution | 46.720 - 1.750 |
| R-factor | 0.2006 |
| Rwork | 0.200 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k35 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.525 |
| 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] | 46.720 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.140 | 1.590 |
| Number of reflections | 191591 | 30474 |
| <I/σ(I)> | 6.3 | 0.8 |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 3.9 | 3.6 |
| CC(1/2) | 0.994 | 0.342 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 85 mM HEPES pH 7.5, 85 mM sodium chloride, 1.36 M (NH4)2SO4, 15% glycerol |
