7CXA
Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 |
| Unit cell lengths | 40.843, 40.843, 152.631 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.090 - 1.970 |
| R-factor | 0.2042 |
| Rwork | 0.202 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zsl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 4.240 | 1.970 |
| Rmerge | 0.063 | 0.047 | 0.738 |
| Total number of observations | 86610 | ||
| Number of reflections | 20163 | 1986 | 2057 |
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.7 | 96.8 | 100 |
| Redundancy | 4.3 | 4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 28-35% PEG 4000/6000, 0.1M Tris (pH 7.5 - pH 8.5), 0.1M MgCl2, 0.4M NaSCN |
