3M3E
Crystal Structure of Agrocybe aegerita lectin AAL mutant E66A complexed with p-Nitrophenyl Thomsen-Friedenreich disaccharide
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 21 1 |
Unit cell lengths | 56.820, 53.240, 103.400 |
Unit cell angles | 90.00, 95.04, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
Rwork | 0.206 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zgl |
RMSD bond length | 0.006 |
RMSD bond angle | 1.412 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.839 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.348 |
Number of reflections | 34472 | |
<I/σ(I)> | 2.8 | |
Completeness [%] | 95.0 | 92 |
Redundancy | 2.9 | 2.9 |
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 |