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 |