3AFK
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-03-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 40.850, 43.440, 56.060 |
Unit cell angles | 102.08, 98.15, 118.06 |
Refinement procedure
Resolution | 36.370 - 1.950 |
Rwork | 0.186 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.378 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.371 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.038 | |
Number of reflections | 21402 | |
<I/σ(I)> | 14.7 | |
Completeness [%] | 92.0 | |
Redundancy | 2.7 | 2.7 |
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 |