2WR9
CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE
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 CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.958, 48.974, 76.261 |
| Unit cell angles | 90.00, 98.89, 90.00 |
Refinement procedure
| Resolution | 75.380 - 1.750 |
| R-factor | 0.17875 |
| Rwork | 0.176 |
| R-free | 0.22548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vnv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.742 |
| 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] | 75.380 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 42884 | |
| <I/σ(I)> | 11.2 | 1.9 |
| Completeness [%] | 97.8 | 86.7 |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COMPLEX WAS CO-CRYSTALLIZED FROM 30% W/V PEG 5000MME AND 0.2M AMMONIUM SULPHATE |
