8ILU
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-30 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.969 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.730, 49.600, 60.550 |
Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
Resolution | 31.430 - 1.800 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 2.178 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.430 | 1.847 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.073 | |
Rmeas | 0.206 | |
Number of reflections | 21379 | 1602 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 30 % PEG 6K, 0.100M TRIS PH8.2, 0.400M NASCN |