9RWV
Crystal structure of the YqiI lectin domain, in complex with oligomannose-3
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 | 2023-03-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.030, 69.900, 107.350 |
| Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
| Resolution | 35.680 - 1.300 |
| R-factor | 0.1609 |
| Rwork | 0.160 |
| R-free | 0.17250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.832 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.500 | 1.240 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.062 | 1.264 |
| Rmeas | 0.073 | |
| Rpim | 0.038 | 0.792 |
| Number of reflections | 139467 | 67786 |
| <I/σ(I)> | 12.8 | 1.3 |
| Completeness [%] | 99.5 | 96.7 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.1M PCTP pH 7.0, 60% v/v MPD (The Ligand Friendly Screen) |
