8XIV
Production of D-psicose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-17 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 121.056, 121.056, 47.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.980 - 1.600 |
| R-factor | 0.16375 |
| Rwork | 0.162 |
| R-free | 0.19571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vnk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.980 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.498 |
| Number of reflections | 47060 | 2252 |
| <I/σ(I)> | 0.998 | 1.8 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 5.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 299 | 2% v/v 1,4-dioxane 0.1 M Tris pH 8.0 15% w/v Polyethlene glycol 3350 |
