9D63
Crystal structure of Human Galectin-3 CRD in complex with Galactose (Galactose soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97718 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.886, 57.798, 62.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.460 - 1.150 |
| R-factor | 0.1189 |
| Rwork | 0.118 |
| R-free | 0.13650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.155 |
| Data reduction software | XDS (BUILT=20230630) |
| Data scaling software | XDS (BUILT=20230630) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.460 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmeas | 0.061 | 0.636 |
| Number of reflections | 45820 | 4117 |
| <I/σ(I)> | 22.9 | 3.81 |
| Completeness [%] | 97.3 | 89.13 |
| Redundancy | 12.5 | 10.6 |
| CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.1 M Tris-HCl pH 7.5, 33% w/v PEG 6000, 0.1 M Magnesium chloride, 0.008 M 2-mercaptoethanol |
