3QDX
Structure of the orthorhombic form of the Boletus edulis lectin in complex with T-antigen disaccharide and N,N-diacetyl chitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.161, 97.962, 84.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.17827 |
| Rwork | 0.177 |
| R-free | 0.20754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qdw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.226 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.970 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.083 | 0.322 |
| Number of reflections | 31154 | |
| <I/σ(I)> | 14.4 | 5.1 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M ammonium sulphate, 0.05M MES, 10% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
