5G6S
Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2015-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.822, 80.255, 123.895 |
| Unit cell angles | 108.75, 108.78, 90.05 |
Refinement procedure
| Resolution | 110.320 - 2.350 |
| R-factor | 0.20563 |
| Rwork | 0.204 |
| R-free | 0.22902 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a9t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.701 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.480 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.200 | 0.550 |
| Number of reflections | 111053 | |
| <I/σ(I)> | 2.9 | 1.2 |
| Completeness [%] | 97.4 | 97.1 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
