6EO0
Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.930, 113.590, 72.310 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 48.410 - 2.400 |
| R-factor | 0.25531 |
| Rwork | 0.253 |
| R-free | 0.30492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4utv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.967 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.252 | 1.702 |
| Number of reflections | 38453 | 4467 |
| <I/σ(I)> | 6.1 | 0.9 |
| Completeness [%] | 96.2 | 97.3 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.989 | 0.517 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% PEG8000, 0.2 M MgCl2, 0.1 M Tris/HCl pH 8.5, 0.1 M glycine |
