6I76
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.833, 57.621, 62.978 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.489 - 1.200 |
R-factor | 0.1642 |
Rwork | 0.163 |
R-free | 0.19340 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3zsl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3084: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.489 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.138 | 3.476 |
Rmeas | 0.151 | 3.795 |
Rpim | 0.060 | 1.503 |
Number of reflections | 39599 | |
<I/σ(I)> | 12.41 | |
Completeness [%] | 95.1 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.1 M MgCl2, 0.4 M NaSCN, 7.9 mM beta-mercaptoethanol |