7RH4
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-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 210r |
Wavelength(s) | 0.953 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.933, 57.929, 62.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.349 - 1.201 |
Rwork | 0.154 |
R-free | 0.16420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nmo |
RMSD bond length | 0.018 |
RMSD bond angle | 2.017 |
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] | 42.350 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.053 | 0.652 |
Number of reflections | 38453 | 952 |
<I/σ(I)> | 18.4 | 1.5 |
Completeness [%] | 93.2 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 31% PEG 6000, 100mM MgCl2, 8mM beta mercaptoethanol, 100mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |