7CXC
Structure of mouse Galectin-3 CRD point mutant (V160A) 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 | 2016-12-17 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.513, 58.286, 68.085 |
| Unit cell angles | 90.00, 103.56, 90.00 |
Refinement procedure
| Resolution | 43.740 - 1.400 |
| R-factor | 0.1459 |
| Rwork | 0.144 |
| R-free | 0.17820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cxb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.023 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.290 | 58.290 | 1.200 |
| High resolution limit [Å] | 1.400 | 3.600 | 1.140 |
| Rmerge | 0.044 | 0.045 | 0.159 |
| Rmeas | 0.053 | 0.055 | 0.220 |
| Rpim | 0.029 | 0.032 | 0.151 |
| Total number of observations | 244146 | 9283 | 5015 |
| Number of reflections | 53247 | 2889 | 2499 |
| <I/σ(I)> | 16.9 | 28.7 | 4 |
| Completeness [%] | 77.7 | 90.6 | 17.6 |
| Redundancy | 3.2 | 3.2 | 2 |
| CC(1/2) | 0.994 | 0.984 | 0.953 |
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), 0.4M NaSCN |
