4C78
Complex of human Sirt3 with Bromo-Resveratrol and ACS2 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 | P 2 21 21 |
| Unit cell lengths | 34.700, 52.600, 159.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.420 - 2.000 |
| R-factor | 0.19614 |
| Rwork | 0.194 |
| R-free | 0.24056 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4H8D |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.923 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.400 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 37699 | |
| <I/σ(I)> | 11.5 | 1.99 |
| Completeness [%] | 98.6 | 99 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 250 MM (NH4)2SO4, 100 MM BISTRIS PH 6, 21% (W/V) PEG 3350 |
