3ZDV
Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.530, 76.980, 99.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.240 - 1.410 |
| R-factor | 0.11614 |
| Rwork | 0.115 |
| R-free | 0.14529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dcq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.651 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.250 | 1.470 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.070 | 0.650 |
| Number of reflections | 76102 | |
| <I/σ(I)> | 19.2 | 3.1 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 330 MM SODIUM CACODYLATE PH 6.5 200 MM AMMONIUM SULPHATE 30% PEG8K |
