4BV3
CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD
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 | 2011-09-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.940, 63.380, 66.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.830 - 2.000 |
| R-factor | 0.16544 |
| Rwork | 0.163 |
| R-free | 0.20942 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3glt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.009 |
| 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] | 45.800 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.650 |
| Number of reflections | 17814 | |
| <I/σ(I)> | 15.6 | 2.9 |
| Completeness [%] | 99.3 | 95.4 |
| Redundancy | 6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M (NH4)2SO4, 20% PEG 3350 |
