9FM7
Imine Reductase from Rhodococcus erythropolis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-05-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.728, 81.728, 83.375 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.020 - 2.000 |
| R-factor | 0.19789 |
| Rwork | 0.195 |
| R-free | 0.24502 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.780 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 1.140 |
| Rpim | 0.020 | 0.370 |
| Number of reflections | 22229 | 1631 |
| <I/σ(I)> | 28 | 3.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.3 | |
| CC(1/2) | 1.000 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 MgCl2; 0.1M bis-Tris pH 5.5; 25%PEG 3350 |
