3QDU
Structure of Boletus edulis lectin in complex with N,N-diacetyl chitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.174, 84.058, 120.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.670 - 2.000 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qdw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.731 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.243 |
| Number of reflections | 47335 | |
| <I/σ(I)> | 17 | 6.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M magnesium acetate, 0.1M sodium cacodylate, 10% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
