8OJM
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-10-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.050, 57.420, 62.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.050 - 1.800 |
R-factor | 0.1514 |
Rwork | 0.149 |
R-free | 0.19103 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.610 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.050 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 12426 | 677 |
<I/σ(I)> | 26 | |
Completeness [%] | 99.2 | |
Redundancy | 5.5 | |
CC(1/2) | 0.998 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1M Tris-HCl, pH 8.5, 0.2M MgCl2, 35% w/v PEG 8000 |