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 |