6ENX
Zebrafish Sirt5 in complex with stalled bicyclic intermediate of inhibitory compound 10
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 | 2016-12-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000030 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.470, 38.250, 75.550 |
| Unit cell angles | 90.00, 122.51, 90.00 |
Refinement procedure
| Resolution | 49.110 - 1.950 |
| R-factor | 0.19706 |
| Rwork | 0.195 |
| R-free | 0.24169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4utv |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.971 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.213 | 1.565 |
| Number of reflections | 20704 | 1518 |
| <I/σ(I)> | 6.8 | 1.1 |
| Completeness [%] | 99.1 | 99.2 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.989 | 0.463 |
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 |
