25OY
Crystal Structure Analysis of the Short-Chain Dehydrogenase/Reductase GoSDR for Patulin Detoxification
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 186.078, 186.078, 166.772 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.230 - 1.980 |
| R-factor | 0.17022 |
| Rwork | 0.169 |
| R-free | 0.19075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.883 |
| Data reduction software | autoPX |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.230 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 76904 | 76904 |
| <I/σ(I)> | 36.07 | |
| Completeness [%] | 99.5 | |
| Redundancy | 19.19 | |
| CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 3.5 M NaCl, 0.12 M Bis-Tris, pH 7.0 |
