9G3L
LecB from PA01 in complex with synthetic beta - fucosylamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.019, 80.160, 52.429 |
| Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
| Resolution | 49.389 - 1.739 |
| Rwork | 0.147 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.692 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.390 | 1.770 |
| High resolution limit [Å] | 1.739 | 1.740 |
| Rmerge | 0.140 | 0.815 |
| Rmeas | 0.172 | |
| Rpim | 0.099 | 0.584 |
| Number of reflections | 40572 | 1952 |
| <I/σ(I)> | 7.6 | 4.8 |
| Completeness [%] | 99.2 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.994 | 0.678 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 26% Peg6K 1M LiCl 0.1M sodium acetate pH 4.5 3 minutes soaking in 32% Peg Smear Low 50 mM sodium acetate pH 4.5 and 10mM ligand |
