9G3K
LecB from PA01 in complex with synthetic beta - fucosylamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.351, 80.166, 52.406 |
| Unit cell angles | 90.00, 109.36, 90.00 |
Refinement procedure
| Resolution | 47.500 - 1.550 |
| Rwork | 0.137 |
| R-free | 0.16820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.834 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.048 | 0.370 |
| Rmeas | 0.060 | 0.471 |
| Rpim | 0.036 | 0.289 |
| Number of reflections | 268205 | 12508 |
| <I/σ(I)> | 15.5 | 3.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.998 | 0.922 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 30% PEG 5KMME 0.2M AmSO4 0.1M Mes pH 6.5 |
