9GEG
Entamoeba histolytica Gal/GalNAc lectin heavy chain residues 808-992 in the presence of GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-17 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.023, 146.314, 85.095 |
| Unit cell angles | 90.00, 113.84, 90.00 |
Refinement procedure
| Resolution | 41.340 - 1.850 |
| R-factor | 0.2484 |
| Rwork | 0.247 |
| R-free | 0.26890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9gei |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.340 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.035 | 1.402 |
| Number of reflections | 78890 | 3920 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.347 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 M Sodium acetate, pH 4.0, 0.225 M Ammonium sulfate, 12 % w/v PEG 4000, 500 mM GalNAc + 20% glycerol |
