5A6Z
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a
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 | 52.976, 63.772, 64.513 |
| Unit cell angles | 90.00, 91.25, 90.00 |
Refinement procedure
| Resolution | 27.820 - 1.500 |
| R-factor | 0.13179 |
| Rwork | 0.131 |
| R-free | 0.15486 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a6q |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.714 |
| 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] | 27.820 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.030 | 0.150 |
| Number of reflections | 66333 | |
| <I/σ(I)> | 26.9 | 5.6 |
| Completeness [%] | 96.5 | 72.4 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 22% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5. PEG CONCENTRATION WAS INCREASED TO 30% FOR CRYOPROTECTION |
