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 |
