6QLS
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.635784 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.481, 58.600, 63.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.844 - 1.047 |
R-factor | 0.1375 |
Rwork | 0.136 |
R-free | 0.15990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zsl |
RMSD bond length | 0.012 |
RMSD bond angle | 1.336 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3084: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.844 | 1.085 |
High resolution limit [Å] | 1.047 | 1.047 |
Rmerge | 0.091 | 1.218 |
Rmeas | 0.099 | |
Rpim | 0.038 | 0.511 |
Number of reflections | 64101 | 6158 |
<I/σ(I)> | 8.98 | 0.89 |
Completeness [%] | 99.4 | 96.28 |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.475 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.1 M MgCl2, 0.4 M NaSCN, 7.9 mM beta-mercaptoethanol |