9S62
Galectin-3 in complex with N-[4-O-(beta-d-Galactopyranosyl)-beta-d-glucopyranosyl]-N-(3-carboxyphenyl)acetamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.824, 58.073, 63.383 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.118 - 1.059 |
| Rwork | 0.151 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.788 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.88)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.118 | 1.120 |
| High resolution limit [Å] | 1.059 | 1.059 |
| Rmeas | 0.066 | 1.171 |
| Number of reflections | 57197 | 7912 |
| <I/σ(I)> | 9.84 | 1.23 |
| Completeness [%] | 91.5 | 79.7 |
| Redundancy | 3.55 | 3.5 |
| CC(1/2) | 0.997 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 291 | 50 mM Potassium bromide, 30% w/v Polyethylene glycol MME 2,000 |
