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. |
