4BVH
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE
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 | 2012-05-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.710, 66.530, 201.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.440 - 1.900 |
| R-factor | 0.17422 |
| Rwork | 0.172 |
| R-free | 0.22581 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3glt |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.077 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.400 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.490 |
| Number of reflections | 68289 | |
| <I/σ(I)> | 16.3 | 3.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 6000, 0.1 M HEPES PH7 |
