8TNF
Crystal structure of sulfohexulose-1-phosphate aldolase from Paracoccus onubensis strain Merri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.663, 82.485, 144.770 |
| Unit cell angles | 96.05, 90.00, 97.42 |
Refinement procedure
| Resolution | 47.880 - 2.500 |
| R-factor | 0.239 |
| Rwork | 0.237 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.980 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | |
| Rpim | 0.077 | |
| Number of reflections | 121327 | 5943 |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 97.7 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.991 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES (pH 7.5), 0.2 M L-proline, 14-18% PEG3350 |
