5NFA
Structure of Galectin-3 CRD in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.800, 58.150, 63.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.750 - 1.590 |
R-factor | 0.14392 |
Rwork | 0.143 |
R-free | 0.16943 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zsl |
RMSD bond length | 0.023 |
RMSD bond angle | 2.299 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.590 | 1.590 |
Number of reflections | 18804 | |
<I/σ(I)> | 28.3 | |
Completeness [%] | 99.2 | |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM Tris HCl pH7.5; 30-34% PEG4000; 100mM MgCl2; 400mM NaSCN; 8mM beta-mercaptoethanol |