3M3C
Crystal Structure of Agrocybe aegerita lectin AAL complexed with p-Nitrophenyl TF disaccharide
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 | 2009-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.964 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.590, 62.420, 96.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.188 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zgl |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.428 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Rmerge | 0.068 | 0.037 | 0.243 |
| Number of reflections | 25298 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 99.9 | 99.6 | 98.9 |
| Redundancy | 3.7 | 3.6 | 3.4 |
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 |
