28HW
Crystal structure of the human galectin-3 carbohydrate-recognition domain in complex with p-Methoxyphenyl 3-O-benzyl-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 | 2024-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.495, 57.711, 62.744 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.860 - 1.100 |
| R-factor | 0.17221 |
| Rwork | 0.171 |
| R-free | 0.18671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.074 |
| 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] | 30.860 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 44882 | 3815 |
| <I/σ(I)> | 22.46 | |
| Completeness [%] | 82.3 | |
| Redundancy | 11.7 | |
| CC(1/2) | 1.000 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG 6000, 100mM MgCl2, 10mM beta mercaptoethanol, 100mM Tris-HCL, pH 8.5 |
