3M3Q
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Ganglosides GM1 pentasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.861, 66.711, 56.211 |
| Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.222 |
| Rwork | 0.209 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zgl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.404 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.220 |
| High resolution limit [Å] | 2.180 | 5.910 | 2.180 |
| Rmerge | 0.123 | 0.092 | 0.234 |
| Number of reflections | 19388 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 98.7 | 97.7 | 95 |
| Redundancy | 3.6 | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 5.5 | 298 | 25% PEG3350, 0.2M LiCl, 5% acetone, pH 5.5, hanging drop, temperature 298K |
