6Q17
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
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 | 2017-03-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.740, 57.820, 62.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.471 - 1.980 |
R-factor | 0.166373910052 |
Rwork | 0.164 |
R-free | 0.20532 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.977 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.480 | 2.060 |
High resolution limit [Å] | 1.980 | 1.990 |
Rmerge | 0.067 | 0.110 |
Number of reflections | 9412 | 906 |
<I/σ(I)> | 27 | |
Completeness [%] | 100.0 | |
Redundancy | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 31% PEG 3100, 100 mM tris-HCl pH 7.5, 100 mM MgCl2, 8 mM 2-Mercaptoethanol |