4BN5
Structure of human SIRT3 in complex with SRT1720 inhibitor
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 | PIXEL |
| Collection date | 2013-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 227.820, 246.060, 127.340 |
| Unit cell angles | 90.00, 123.88, 90.00 |
Refinement procedure
| Resolution | 48.570 - 3.250 |
| R-factor | 0.21073 |
| Rwork | 0.208 |
| R-free | 0.26534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gls |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.220 |
| 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] | 25.000 | 3.300 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.140 | 1.440 |
| Number of reflections | 91158 | |
| <I/σ(I)> | 9.3 | 1.1 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% (W/V) PEG3350, 0.2 M SODIUM FLUORIDE |
