6Z6C
Crystal structurel of FleA lectin in complex with a monovalent inhibitor
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 | 2018-12-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.117, 46.893, 80.173 |
| Unit cell angles | 103.08, 98.54, 108.51 |
Refinement procedure
| Resolution | 42.534 - 1.400 |
| Rwork | 0.118 |
| R-free | 0.15790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ah4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.820 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.540 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.052 | 0.300 |
| Rmeas | 0.061 | |
| Rpim | 0.032 | 0.236 |
| Number of reflections | 115240 | 5620 |
| <I/σ(I)> | 16.1 | 3.1 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 6.5 | 4.7 |
| CC(1/2) | 0.998 | 0.096 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM L-Arginin, 50 mm L-Glutamate, 28% PEG Smear Broad and 5% glycerol (BCS screen 1-32) |
