8ILU
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 | 2017-07-30 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.730, 49.600, 60.550 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 31.430 - 1.800 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.178 |
| 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] | 31.430 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | |
| Rmeas | 0.206 | |
| Number of reflections | 21379 | 1602 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 30 % PEG 6K, 0.100M TRIS PH8.2, 0.400M NASCN |
