8YXQ
NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase wild type 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 BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.640, 114.800, 63.030 |
| Unit cell angles | 90.00, 99.43, 90.00 |
Refinement procedure
| Resolution | 42.210 - 1.530 |
| R-factor | 0.17849 |
| Rwork | 0.176 |
| R-free | 0.21644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.669 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.430 | 1.610 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.094 | 1.274 |
| Number of reflections | 456365 | 27978 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.1 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG3350, magnesium chloride, Tris-Hcl pH 8.5 |
