7CXD
Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 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 | PIXEL |
| Collection date | 2017-02-21 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.241, 58.712, 70.773 |
| Unit cell angles | 90.00, 113.85, 90.00 |
Refinement procedure
| Resolution | 41.170 - 1.710 |
| R-factor | 0.227 |
| Rwork | 0.226 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cxa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.500 | 61.500 | 1.800 |
| High resolution limit [Å] | 1.710 | 5.400 | 1.710 |
| Rmerge | 0.074 | 0.065 | 0.441 |
| Rmeas | 0.087 | 0.076 | 0.516 |
| Rpim | 0.045 | 0.040 | 0.267 |
| Total number of observations | 172697 | 6322 | 27913 |
| Number of reflections | 48235 | 1784 | 7570 |
| <I/σ(I)> | 9.3 | 17.8 | 2.5 |
| Completeness [%] | 87.9 | 99.1 | 94.7 |
| Redundancy | 3.6 | 3.5 | 3.7 |
| CC(1/2) | 0.995 | 0.994 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 24-35% PEG 4000/6000, 0.1M Tris (pH 7.5 to pH 8.5), 0.1M MgCl2, 0.4M NaSCN |
