9D64
Crystal structure of Human Galectin-3 CRD in complex with Galacturonic acid (Galacturonic acid 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 | 2023-10-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97718 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.293, 56.261, 61.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.450 - 1.200 |
| R-factor | 0.1408 |
| Rwork | 0.140 |
| R-free | 0.16420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.921 |
| 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] | 41.450 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmeas | 0.091 | 2.513 |
| Number of reflections | 37909 | 3714 |
| <I/σ(I)> | 13.95 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 12.3 |
| CC(1/2) | 0.999 | 0.513 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 0.1 M Tris-HCl pH 7.0, 31% w/v PEG 6000, 0.1 M Magnesium chloride, 0.008 M 2-mercaptoethanol |
