6FKZ
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-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 | 2016-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 87.220, 87.220, 318.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.730 - 3.300 |
| R-factor | 0.22517 |
| Rwork | 0.222 |
| R-free | 0.28431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4utv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.695 |
| 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 | 3.390 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmeas | 0.393 | 1.218 |
| Number of reflections | 10989 | 1671 |
| <I/σ(I)> | 5 | 1.4 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 4.1 | 4.3 |
| CC(1/2) | 0.938 | 0.496 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.4, 20% PEG3350 |
