9U2P
Crystal structure of the human galectin-3 carbohydrate-recognition domain in complex with SeDG-Bn
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) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.411, 57.058, 61.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.680 - 1.200 |
| R-factor | 0.19323 |
| Rwork | 0.192 |
| R-free | 0.22321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.840 |
| 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] | 30.700 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 35538 | 2393 |
| <I/σ(I)> | 14.11 | 0.7 |
| Completeness [%] | 84.1 | 59.85 |
| Redundancy | 10.2 | 6.2 |
| CC(1/2) | 1.000 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 35% PEG 6000, 100mM MgCl2, 100mM Tris-HCL, pH 8.5 |
