4LBJ
Crystal structure of Human galectin-3 CRD K176L mutant in complex with LNT
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 | 2012-09-24 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.670, 58.340, 63.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.810 - 1.800 |
| R-factor | 0.141 |
| Rwork | 0.139 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.805 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.098 | |
| Number of reflections | 12411 | |
| <I/σ(I)> | 19 | 6.3 |
| Completeness [%] | 97.8 | 87.8 |
| Redundancy | 6.5 | 4.3 |
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 |
