3AYA
Crystal structure of galectin-3 CRD domian complexed with Thomsen-Friedenreich antigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 85 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-02-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.720, 51.330, 59.770 |
| Unit cell angles | 64.70, 85.33, 80.33 |
Refinement procedure
| Resolution | 18.000 - 2.000 |
| Rwork | 0.199 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nn8 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.700 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.250 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.042 | 0.067 |
| Number of reflections | 21917 | |
| <I/σ(I)> | 21.7 | 13.7 |
| Completeness [%] | 93.6 | 90.9 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.0 A.S., 0.1 MBis-Tris, 5mM beta-Mercaptoethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
