3QDT
Structure of Boletus edulis lectin in complex with T-antigen disaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.049, 97.457, 84.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.580 - 1.300 |
R-factor | 0.17029 |
Rwork | 0.170 |
R-free | 0.17970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qdw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.293 |
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 | 0.052 | 0.175 |
Number of reflections | 66455 | |
<I/σ(I)> | 19.5 | 6.5 |
Completeness [%] | 96.7 | 81 |
Redundancy | 5 | 3.9 |
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 |