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 |