2WYF
Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.885, 99.788, 91.318 |
| Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
| Resolution | 89.800 - 2.400 |
| R-factor | 0.1704 |
| Rwork | 0.166 |
| R-free | 0.25891 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.581 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.110 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.350 |
| Number of reflections | 32401 | |
| <I/σ(I)> | 8.5 | 3.1 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 15% PEG 6000, 1M LITHIUM CHLORIDE, 100MM CITRIC ACID PH 4.0 |
