3QDY
Structure of the hexagonal 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 BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 124.045, 124.045, 104.473 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.270 - 2.000 |
| R-factor | 0.19292 |
| Rwork | 0.192 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qdw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.815 |
| 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] | 29.300 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.071 | 0.285 |
| Number of reflections | 32555 | |
| <I/σ(I)> | 19.9 | 7.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.3 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2M ammonium acetate, 0.1M sodium acetate, 30% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
