2PHW
Pterocarpus angolensis lectin (PAL) in complex with Man-9
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] | 293 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.81 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.694, 83.205, 122.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| Rwork | 0.175 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q8p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.560 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.335 |
| Number of reflections | 54041 | |
| <I/σ(I)> | 14.4 | 3.09 |
| Completeness [%] | 98.8 | 98 |
| Redundancy | 5.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 100 mM cacodylate pH 6.6, 200 mM CaCl2, 18% PEG-6000, 20 mM Man(a1-3)Man, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
