4D4U
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with LewisY tetrasaccharide.
Replaces: 4AH5Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.317, 47.529, 77.365 |
| Unit cell angles | 96.81, 100.24, 113.61 |
Refinement procedure
| Resolution | 42.010 - 1.990 |
| R-factor | 0.17163 |
| Rwork | 0.169 |
| R-free | 0.22006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4agi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.412 |
| Data reduction software | XDS |
| Data scaling software | MOSFLM |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.010 | 2.100 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 122864 | |
| <I/σ(I)> | 11.6 | 2.9 |
| Completeness [%] | 96.1 | 88.9 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM CACL2, 25% PEG 4K, 100 MM TRIS PH 8.5 |
