4UTX
Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide
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 | 2013-07-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 87.490, 87.490, 313.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.380 - 3.100 |
| R-factor | 0.19722 |
| Rwork | 0.194 |
| R-free | 0.26189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nyr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.704 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.210 | 1.310 |
| Number of reflections | 13762 | |
| <I/σ(I)> | 14.3 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.5 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 22% PEG3350, 0.1 M HEPES PH 7.5 |
