2NMN
Crystal structure of human galectin-3 carbohydrate-recognising domain at 2.45 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2005-07-14 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.341, 58.238, 63.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.990 - 2.450 |
| R-factor | 0.16657 |
| Rwork | 0.163 |
| R-free | 0.23734 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1a3k |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.688 |
| Data reduction software | SAINT |
| Data scaling software | LSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.000 | 2.560 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.048 | 0.187 |
| Number of reflections | 5400 | |
| <I/σ(I)> | 11.4 | 4.6 |
| Completeness [%] | 98.4 | 84.1 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 31% PEG 6000, 100mM MgCl2, 8mM beta-mercaptoethanol, 100mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
