5ODY
Galectin-3C in complex with dithiogalactoside derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.8856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.246, 57.443, 60.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.810 - 1.149 |
R-factor | 0.1357 |
Rwork | 0.134 |
R-free | 0.16140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3zsl |
RMSD bond length | 0.012 |
RMSD bond angle | 1.256 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.810 | 1.190 |
High resolution limit [Å] | 1.149 | 1.149 |
Rmerge | 0.071 | 0.934 |
Rpim | 0.029 | 0.423 |
Number of reflections | 42774 | 3911 |
<I/σ(I)> | 13.16 | 1.49 |
Completeness [%] | 98.7 | 91.85 |
Redundancy | 6.5 | 5.3 |
CC(1/2) | 0.999 | 0.583 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 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 |