4JC1
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 295 |
Detector technology | CCD |
Collection date | 2011-06-23 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.788, 58.003, 63.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.790 - 1.500 |
R-factor | 0.13609 |
Rwork | 0.135 |
R-free | 0.14938 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.309 |
Data reduction software | SAINT |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.000 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.040 | 0.142 |
Number of reflections | 21329 | |
<I/σ(I)> | 20.9 | 3.5 |
Completeness [%] | 95.5 | 84.1 |
Redundancy | 5.4 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Hanging drops consisting of equal volumes of protein solution (100 mM lactose in PBS pH 7.5 supplemented with 2 mM CaCl2 and a protein concentration of 10 mg ml 1) and reservoir solution [100 mM Tris HCl, 31%(w/v) PEG 6000, 100 mM MgCl2 and 8 mM -mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |