8ITX
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
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 | 2018-11-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.350, 43.340, 48.150 |
| Unit cell angles | 111.12, 105.87, 90.42 |
Refinement procedure
| Resolution | 37.110 - 1.120 |
| R-factor | 0.19406 |
| Rwork | 0.193 |
| R-free | 0.21097 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.310 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.150 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Number of reflections | 77739 | 81792 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 85.7 | |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | BUFFER = 0.1M TRIS (7.8), SALT= NASCN; PRECIPITANT = PEG 6K |
