3AYD
Crystal structure of galectin-3 CRD domian complexed with TFN
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 | 2010-11-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 50.730, 50.730, 106.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.930 - 1.900 |
Rwork | 0.182 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nn8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.620 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.058 | 0.076 |
Number of reflections | 13046 | |
<I/σ(I)> | 29.4 | 15.4 |
Completeness [%] | 99.4 | 98.8 |
Redundancy | 9.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.0 A.S., 0.1MBis-Tris, 5mM beta-Mercaptoethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |