28IM
Crystal structure of the human galectin-3 carbohydrate-recognition domain in complex with Methyl 3-O-toluensulfonyl-beta-D-galactopyranoside
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.857, 56.784, 61.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.970 - 1.130 |
| R-factor | 0.17859 |
| Rwork | 0.177 |
| R-free | 0.19882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.913 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.970 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 39232 | 2028 |
| <I/σ(I)> | 19.9 | |
| Completeness [%] | 82.3 | |
| Redundancy | 10.6 | |
| CC(1/2) | 1.000 | 0.476 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 35% PEG 6000, 100mM MgCl2, 100mM Tris-HCL, pH 8.5 |
