9I7Z
LecA in complex with 2-fluoro non-carbohydrate glycomimetic
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 | 2023-04-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.576, 50.728, 71.689 |
| Unit cell angles | 90.00, 100.01, 90.00 |
Refinement procedure
| Resolution | 41.230 - 1.850 |
| Rwork | 0.158 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.821 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.563 |
| Rmeas | 0.098 | 0.706 |
| Rpim | 0.057 | 0.420 |
| Number of reflections | 36840 | 2274 |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.5 | 5.2 |
| CC(1/2) | 0.998 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 26% Peg 6K, 1M LiCl and 100 mM sodium acetate pH 4.5 |
