5A6X
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with alpha-methyl-fucoside
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 21 21 21 |
| Unit cell lengths | 52.558, 65.585, 109.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.840 - 1.550 |
| R-factor | 0.12944 |
| Rwork | 0.128 |
| R-free | 0.15340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a6q |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.641 |
| 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] | 37.840 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 55470 | |
| <I/σ(I)> | 20.9 | 3.4 |
| Completeness [%] | 99.9 | 98.5 |
| Redundancy | 6.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.8 | 26% PEG 8K 1M LICL 0.1M CITRIC ACID PH 3.8 |
