2C25
1.8A Crystal Structure of Psathyrella velutina lectin in complex with N-acetylneuraminic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.728, 144.403, 52.601 |
| Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
| Resolution | 72.170 - 1.800 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bwm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.614 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.690 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 70971 | |
| <I/σ(I)> | 8.26 | 1.84 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.93 | 3.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 2.2M (NH4)2SO4, 0.1M MES PH 6.5 |
