5Z94
Crystal Structure of SIRT3 in complex with H3K4bhb peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.472, 76.260, 75.425 |
| Unit cell angles | 90.00, 115.77, 90.00 |
Refinement procedure
| Resolution | 37.636 - 1.899 |
| R-factor | 0.1621 |
| Rwork | 0.161 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.851 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.542 |
| Number of reflections | 60593 | 3065 |
| <I/σ(I)> | 26.4 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Li2SO4, 0.1M sodium citrate, pH 6.0, 19% PEG 3,350 |
