5Y0Z
Human SIRT2 in complex with a specific inhibitor, NPD11033
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.987, 115.685, 71.055 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21184 |
| Rwork | 0.210 |
| R-free | 0.24202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y6l |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.036 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 1.990 |
| Rmerge | 0.039 | 0.075 |
| Number of reflections | 38772 | |
| <I/σ(I)> | 35.8 | |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 5.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5 |
