8Z1S
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-06 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.614, 64.997, 74.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.010 - 2.000 |
| R-factor | 0.2156 |
| Rwork | 0.213 |
| R-free | 0.27560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.010 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.146 | 2.292 |
| Rmeas | 0.158 | 2.495 |
| Rpim | 0.060 | 0.969 |
| Total number of observations | 338144 | 30672 |
| Number of reflections | 49022 | 4742 |
| <I/σ(I)> | 7.3 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | 6.5 |
| CC(1/2) | 0.998 | 0.394 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M TRIS (7.8), NASCN, PEG 6000 |
