5A6Y
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.979, 49.779, 75.438 |
| Unit cell angles | 90.00, 93.34, 90.00 |
Refinement procedure
| Resolution | 44.520 - 1.400 |
| R-factor | 0.12457 |
| Rwork | 0.122 |
| R-free | 0.16328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a6q |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.795 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.520 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.180 |
| Number of reflections | 76843 | |
| <I/σ(I)> | 21 | 5.4 |
| Completeness [%] | 99.4 | 94.9 |
| Redundancy | 3.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 24% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5. 10% GLYCEROL WAS ADDED AS CRYOPROTECTANT |
