2C65
MAO inhibition by rasagiline analogues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.692, 222.363, 86.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s2q |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 15.000 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.090 |
| Number of reflections | 131876 |
| <I/σ(I)> | 11 |
| Completeness [%] | 98.2 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
