8IU1
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-30 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0332 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 110.670, 110.670, 110.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.970 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.376 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.060 | 0.038 |
| Number of reflections | 16076 | |
| <I/σ(I)> | 24.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 20.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 32% PEG 4000, 0.1M TRIS(8.0), 0.4M NASCN, 0.1M MGCL2 |
