4NDU
Crystal structure of L. decastes alpha-galactosyl-binding lectin in complex with alpha-methylgalactoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-03 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 62.098, 75.035, 44.412 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.762 - 1.301 |
R-factor | 0.1751 |
Rwork | 0.173 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ndt |
RMSD bond length | 0.011 |
RMSD bond angle | 1.486 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.380 | |
High resolution limit [Å] | 1.300 | 3.830 | 1.300 |
Rmerge | 0.062 | 0.018 | 0.644 |
Number of reflections | 50868 | 2158 | 7972 |
<I/σ(I)> | 15.9 | 54.36 | 2.25 |
Completeness [%] | 98.5 | 97.8 | 97.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M lithium sulfate, 0.1 M Tris-HCl, 30% w/v PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |