8YXY
NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase Mutant(M6) from Pochonia chlamydosporia 170
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.850, 114.450, 62.610 |
| Unit cell angles | 90.00, 99.05, 90.00 |
Refinement procedure
| Resolution | 42.030 - 1.130 |
| R-factor | 0.15501 |
| Rwork | 0.154 |
| R-free | 0.17557 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.001 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.030 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.043 | 0.297 |
| Number of reflections | 865651 | 149418 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 78.3 | |
| Redundancy | 5.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG3350, magnesium chloride, Tris-Hcl pH 8.5 |
