4C7B
Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys 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 | CCD |
| Collection date | 2011-11-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.820, 114.820, 123.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.130 - 2.100 |
| R-factor | 0.18305 |
| Rwork | 0.180 |
| R-free | 0.23402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4H8D |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.118 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.720 |
| Number of reflections | 35487 | |
| <I/σ(I)> | 14.3 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 200 MM NACL,100 MM HEPES PH 7, 10% (V/V) ISOPROPANOL |
