6EQS
Human Sirt5 in complex with stalled peptidylimidate 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 | 2016-12-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000030 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.326, 55.969, 123.034 |
| Unit cell angles | 97.39, 99.29, 90.52 |
Refinement procedure
| Resolution | 43.770 - 1.320 |
| R-factor | 0.16076 |
| Rwork | 0.160 |
| R-free | 0.20856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3riy |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.886 |
| 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] | 43.770 | 1.400 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmeas | 0.059 | 0.959 |
| Number of reflections | 227669 | 35569 |
| <I/σ(I)> | 6.8 | 1.1 |
| Completeness [%] | 91.5 | 88.1 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.999 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 30% PEG3350, 0.2 M NaCl, 0.1 M Bis-Tris pH 5.5, 5% 1,3-butandiol |
