4NDT
Crystal structure of L. decastes alpha-galactosyl-binding lectin, orthorhombic crystal form
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 2 2 21 |
Unit cell lengths | 37.365, 44.230, 62.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.756 - 1.030 |
R-factor | 0.1152 |
Rwork | 0.114 |
R-free | 0.13520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nds |
RMSD bond length | 0.010 |
RMSD bond angle | 1.480 |
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 | 1.090 | |
High resolution limit [Å] | 1.030 | 3.080 | 1.030 |
Rmerge | 0.061 | 0.029 | 0.590 |
Number of reflections | 50528 | ||
<I/σ(I)> | 13.93 | 41.04 | 1.61 |
Completeness [%] | 97.5 | 96.8 | 86.6 |
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, pH 8.5, 30% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |