8R74
Galectin-1 in complex with thiogalactoside derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.139, 62.352, 98.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.715 - 1.540 |
Rwork | 0.175 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 2.093 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.720 | 1.570 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.054 | 0.760 |
Number of reflections | 48869 | 15024 |
<I/σ(I)> | 10 | |
Completeness [%] | 99.9 | |
Redundancy | 4.24 | |
CC(1/2) | 0.999 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 288 | 0.1 M sodium acetate pH 6.2, 29 % PEG 4000, 0.2 M ammonium sulphate, seeded |