3AYC
Crystal structure of galectin-3 CRD domian complexed with GM1 pentasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 85 |
Detector technology | CCD |
Collection date | 2010-09-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 32.540, 51.640, 59.670 |
Unit cell angles | 64.44, 85.23, 81.04 |
Refinement procedure
Resolution | 28.400 - 1.800 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nn8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.800 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.280 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.083 | 0.137 |
Number of reflections | 31267 | |
<I/σ(I)> | 10.9 | 6.8 |
Completeness [%] | 97.5 | 96.3 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.0 A.S., 0.1M Bis-Tris, 5mM beta-Mercaptoethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |