7CXB
Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 space group.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-12 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 63.880, 63.880, 136.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.260 - 1.460 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cxa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.320 | 1.500 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.085 | 1.599 |
| Rmeas | 0.087 | 1.638 |
| Rpim | 0.020 | 0.353 |
| Total number of observations | 591876 | 44742 |
| Number of reflections | 29378 | 2113 |
| <I/σ(I)> | 19.3 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 20.1 | 21.2 |
| CC(1/2) | 0.999 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 24%-35% (PEG 4000/PEG 6000), 0.1M Tris (pH 7.5 to pH 8.5), 0.4M NaSCN |
