4LBL
Crystal structure of Human galectin-3 CRD K176L mutant in complex with a-GM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.860, 57.610, 62.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.510 - 1.580 |
| R-factor | 0.1551 |
| Rwork | 0.153 |
| R-free | 0.18970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.1.29) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.388 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.328 | |
| Number of reflections | 18434 | |
| <I/σ(I)> | 15.8 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 31% PEG 6000, 100MM MGCL2, 8MM BETA MERCEPTOETHANOL, 100MM TRIS HCL, pH 7.0, vapor diffusion, hanging drop, temperature 293K |
