8OJO
Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-10-23 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.920, 58.090, 62.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.160 - 1.800 |
R-factor | 0.13822 |
Rwork | 0.136 |
R-free | 0.17595 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.709 |
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] | 31.160 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 12637 | 708 |
<I/σ(I)> | 26.2 | |
Completeness [%] | 99.9 | |
Redundancy | 4.9 | |
CC(1/2) | 0.997 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M Tris-HCl, pH 8.5, 0.2 M MgCl2, and 35% w/v PEG 8000 |