8ITX
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 34.350, 43.340, 48.150 |
Unit cell angles | 111.12, 105.87, 90.42 |
Refinement procedure
Resolution | 37.110 - 1.120 |
R-factor | 0.19406 |
Rwork | 0.193 |
R-free | 0.21097 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.310 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.150 |
High resolution limit [Å] | 1.120 | 1.120 |
Number of reflections | 77739 | 81792 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 85.7 | |
Redundancy | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | BUFFER = 0.1M TRIS (7.8), SALT= NASCN; PRECIPITANT = PEG 6K |