5FWN
Imine Reductase from Amycolatopsis orientalis. Closed form in in complex with (R)- Methyltetrahydroisoquinoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.852, 65.671, 147.556 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.780 - 2.140 |
| R-factor | 0.17401 |
| Rwork | 0.171 |
| R-free | 0.22377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a9r |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.825 |
| 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] | 73.780 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.050 | 0.710 |
| Number of reflections | 29186 | |
| <I/σ(I)> | 28.3 | 4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.4 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.25 M LI2SO4, 0.1 M BISTRIS PH 6.5, 23% W/V PEG 3350, 1 MM NADPH AND 1 MM RAC-AMINE. |
