8PFF
Galectin-3C in complex with a triazolesulfone derivative
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 | 2018-03-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.7749 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.990, 57.777, 61.579 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.300 - 1.080 |
R-factor | 0.1796 |
Rwork | 0.178 |
R-free | 0.20280 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.021 |
RMSD bond angle | 1.700 |
Data reduction software | XDS (20180409) |
Data scaling software | XSCALE (20180409) |
Phasing software | PHENIX (1.21rc1_4933) |
Refinement software | PHENIX (1.21rc1_4933) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.300 | 1.120 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.124 | 1.622 |
Number of reflections | 51395 | 4240 |
<I/σ(I)> | 8.92 | 0.85 |
Completeness [%] | 97.6 | 75.8 |
Redundancy | 12.5 | |
CC(1/2) | 0.998 | 0.376 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20% (w/v) PEG 4000, Tris-HCl pH 7.5, 0.4 M NaSCN |