7Z62
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
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) | 0.97918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 48.122, 57.089, 83.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.700 - 1.530 |
| Rwork | 0.166 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.890 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.004 | 0.264 |
| Rmeas | 0.005 | 0.297 |
| Rpim | 0.002 | 0.134 |
| Number of reflections | 35361 | 1733 |
| <I/σ(I)> | 26.5 | 7.3 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 9.2 | 9.3 |
| CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 18% PEG3350, 150 mM KSCN, 100 mM Tris/HCl pH 8.5 |
