7RH3
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.201, 57.814, 62.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.701 - 1.050 |
| Rwork | 0.157 |
| R-free | 0.17330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmo |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.981 |
| 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] | 31.270 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.043 | 0.346 |
| Number of reflections | 61577 | 2975 |
| <I/σ(I)> | 24.1 | 3.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM Tris-HCl, pH 7.0, 100 mM MgCl2, 31-35 % w/v polyethylene glycol 6000 |
