4LBN
Crystal structure of Human galectin-3 CRD in complex with LNnT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2008-01-01 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.551, 57.875, 63.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.760 - 1.700 |
R-factor | 0.1558 |
Rwork | 0.155 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3k |
RMSD bond length | 0.012 |
RMSD bond angle | 1.500 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.778 | 57.875 | 1.790 |
High resolution limit [Å] | 1.491 | 5.380 | 1.700 |
Rmerge | 0.055 | 0.155 | |
Total number of observations | 6949 | 4161 | |
Number of reflections | 14618 | ||
<I/σ(I)> | 19.8 | 9.3 | 4 |
Completeness [%] | 94.8 | 99.8 | 72.3 |
Redundancy | 7.2 | 12.3 | 2.6 |
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 |