7BOS
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.863, 65.312, 113.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.210 - 1.700 |
| R-factor | 0.2246 |
| Rwork | 0.223 |
| R-free | 0.26260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y6l |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.243 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.210 | 1.640 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.950 | |
| Number of reflections | 36305 | 78722 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 |
