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 |