7BOT
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
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) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.830, 65.494, 114.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.2541 |
| Rwork | 0.251 |
| R-free | 0.31960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y6l |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.307 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.980 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.051 | 0.953 |
| Number of reflections | 40773 | 39028 |
| <I/σ(I)> | 19.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15M Potassium bromide, 30% (w/v) Polyethylene glycol monomethyl ether 2000 |
