7RH1
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-03-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.163, 58.340, 63.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.614 - 1.444 |
| Rwork | 0.180 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmo |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.922 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.860 | 1.470 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.045 | 0.169 |
| Number of reflections | 22158 | 194 |
| <I/σ(I)> | 21.4 | 3.3 |
| Completeness [%] | 89.5 | |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 31% PEG 6000, 100mM MgCL2, 8mM beta mercaptoethanol, 100mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
