8QT4
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-06 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.056, 74.847, 55.981 |
| Unit cell angles | 90.00, 96.37, 90.00 |
Refinement procedure
| Resolution | 55.640 - 1.550 |
| R-factor | 0.1605 |
| Rwork | 0.159 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.871 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.640 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.078 | 0.795 |
| Rmeas | 0.085 | 0.863 |
| Rpim | 0.033 | 0.333 |
| Total number of observations | 287234 | |
| Number of reflections | 44829 | 2227 |
| <I/σ(I)> | 14.2 | 2.8 |
| Completeness [%] | 99.1 | |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.998 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5 |
