8PBF
Galectin-3C in complex with a triazolesulfane derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.6358 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.470, 57.005, 61.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.460 - 1.140 |
| R-factor | 0.1503 |
| Rwork | 0.149 |
| R-free | 0.17620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.147 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.21rc1_4933) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.500 | 1.180 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.156 | 1.443 |
| Number of reflections | 46849 | 4238 |
| <I/σ(I)> | 6.75 | |
| Completeness [%] | 98.8 | 89.6 |
| Redundancy | 6.6 | 6.4 |
| CC(1/2) | 0.997 | 0.458 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20% (w/v) PEG 4000, Tris-HCl pH 7.5, 0.4 M NaSCN, 10 mM beta-mercaptoethanol |
