1S1A
Pterocarpus angolensis seed lectin (PAL) with one binding site free and one binding site containing the disaccharide Man(a1-3)ManMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 295 |
Detector technology | CCD |
Collection date | 2003-10-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.81 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.868, 83.212, 123.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.198 |
Rwork | 0.185 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q8p |
RMSD bond length | 0.006 |
RMSD bond angle | 1.647 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.379 |
Number of reflections | 54780 | |
<I/σ(I)> | 24.2 | 7.8 |
Completeness [%] | 99.7 | 100 |
Redundancy | 12.4 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG8000, Na-cacodylate, Ca-acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |