2X52
CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN COMPLEX WITH A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND
Replaces: 2UWZExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-10 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 101.330, 101.330, 144.920 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 75.080 - 1.700 |
R-factor | 0.15868 |
Rwork | 0.158 |
R-free | 0.17120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wgt |
RMSD bond length | 0.006 |
RMSD bond angle | 1.036 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.100 | 0.460 |
Number of reflections | 60413 | |
<I/σ(I)> | 12.03 | 2.44 |
Completeness [%] | 98.8 | 93.2 |
Redundancy | 5.23 | 3.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.04 M POTASSIUM PHOSPHATE, 14% PEG 8000, 20% GLYCEROL. |