5A3O
Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(cinnamido)-6-deoxy-alpha-D-mannopyranoside at 1.6 ansgtrom
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 | 2013-04-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.954, 51.111, 52.348 |
| Unit cell angles | 101.80, 99.40, 115.95 |
Refinement procedure
| Resolution | 39.250 - 1.600 |
| R-factor | 0.16898 |
| Rwork | 0.167 |
| R-free | 0.20435 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zdv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.630 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.850 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.180 |
| Number of reflections | 50076 | |
| <I/σ(I)> | 25.4 | 6.1 |
| Completeness [%] | 96.6 | 90 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.8 | 25% PEG 6K, 100MM CITRIC ACID PH 3.8 AND 1L LITHIUM CHLORIDE |
