4YWA
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.770, 72.320, 78.710 |
| Unit cell angles | 117.23, 105.00, 89.94 |
Refinement procedure
| Resolution | 23.736 - 1.192 |
| R-factor | 0.1867 |
| Rwork | 0.186 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.389 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.968 | 23.736 | 1.260 |
| High resolution limit [Å] | 1.190 | 3.770 | 1.190 |
| Rmerge | 0.032 | 0.995 | |
| Rmeas | 0.077 | ||
| Rpim | 0.042 | 0.021 | 0.701 |
| Total number of observations | 724110 | 24391 | 90126 |
| Number of reflections | 229498 | ||
| <I/σ(I)> | 6.8 | 20.3 | 1.1 |
| Completeness [%] | 94.0 | 98.7 | 89.3 |
| Redundancy | 3.2 | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 1.5 M ammonium sulfate |
