8AIJ
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.376, 51.589, 52.604 |
| Unit cell angles | 101.81, 99.47, 115.81 |
Refinement procedure
| Resolution | 40.690 - 1.500 |
| Rwork | 0.138 |
| R-free | 0.16880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a3o |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.824 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.690 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | 1.530 |
| Rmeas | 0.072 | 0.450 |
| Rpim | 0.051 | 0.318 |
| Number of reflections | 211861 | 9941 |
| <I/σ(I)> | 12.9 | 3.4 |
| Completeness [%] | 95.5 | 92.49 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.997 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293.15 | 24% PEG 8K, 1M LiCl and 100 mM sodium acetate pH = 4.4 |
