5A70
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.898, 63.228, 63.889 |
| Unit cell angles | 90.00, 91.20, 90.00 |
Refinement procedure
| Resolution | 44.940 - 1.600 |
| R-factor | 0.13767 |
| Rwork | 0.136 |
| R-free | 0.17136 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a6q |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.701 |
| 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] | 44.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.330 |
| Number of reflections | 53856 | |
| <I/σ(I)> | 17.5 | 2.5 |
| Completeness [%] | 96.8 | 74.7 |
| Redundancy | 3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5 |
