6R35
Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide
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 PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.603, 72.481, 62.061 |
| Unit cell angles | 90.00, 114.62, 90.00 |
Refinement procedure
| Resolution | 47.870 - 1.800 |
| R-factor | 0.1341 |
| Rwork | 0.132 |
| R-free | 0.17560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w8h |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.869 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.870 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.533 |
| Rmeas | 0.085 | 0.596 |
| Rpim | 0.037 | 0.262 |
| Number of reflections | 39320 | 2332 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.2 | 5 |
| CC(1/2) | 0.998 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292.15 | PEG8K, CaCl2, ammonium sulphate, Tris-HCl |
