8OJI
Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-10-23 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.940, 57.870, 62.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.190 - 1.750 |
| R-factor | 0.15639 |
| Rwork | 0.154 |
| R-free | 0.21357 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.959 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.940 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 13748 | 738 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.995 | 0.962 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M Tris-HCl, pH 8.5, 0.2 M MgCl2, and 35% PEG 8000 |
