3QDV
Structure of the orthorhombic form of the Boletus edulis lectin in complex with N-acetyl glucosamine and N-acetyl galactosamine
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 | 68.040, 97.446, 84.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.600 - 1.300 |
R-factor | 0.17869 |
Rwork | 0.178 |
R-free | 0.19124 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qdw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.178 |
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] | 33.600 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.065 | 0.195 |
Number of reflections | 67738 | |
<I/σ(I)> | 16.7 | 4.3 |
Completeness [%] | 98.5 | 90.8 |
Redundancy | 4.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M ammonium sulphate, 0.05 M MES, 10% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |