8AIY
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i)
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 | 2021-02-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.909, 76.495, 184.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.076 - 1.550 |
| Rwork | 0.142 |
| R-free | 0.16590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a3o |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.717 |
| 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] | 46.080 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.082 | 0.557 |
| Rmeas | 0.092 | 0.092 |
| Rpim | 0.041 | 0.272 |
| Number of reflections | 711298 | 36020 |
| <I/σ(I)> | 13.57 | 3.43 |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 0.998 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 28% PEG 8K, 200 mM (NH4)2SO4, 100 mM tris |
