2WRA
BclA lectin from Burkholderia cenocepacia complexed with aMan1(aMan1- 6)-3Man trisaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 66.296, 66.296, 46.159 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.450 - 1.100 |
| R-factor | 0.14499 |
| Rwork | 0.144 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vnv |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.450 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 47704 | |
| <I/σ(I)> | 16.8 | 2.4 |
| Completeness [%] | 96.5 | 79.8 |
| Redundancy | 4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 80% OF THE INITIAL PRECIPITANT SOLUTION (30% PEG IN 0.2M AMMONIUM SULPHATE) |
