6TOE
Imine Reductase from Myxococcus stipitatus V8 variant in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2018-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 65 |
| Unit cell lengths | 199.412, 199.412, 97.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.940 - 2.780 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ocm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.970 | 2.860 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.170 | 0.910 |
| Rpim | 0.050 | 0.290 |
| Number of reflections | 55975 | 4545 |
| <I/σ(I)> | 16.1 | 4 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.4 | |
| CC(1/2) | 1.000 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES pH 7.0; 20% (w/v) PEG 6K; o.2 M ammonium choride |
