3QDW
Structure of the hexagonal 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 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 | 123.818, 123.818, 104.322 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.17891 |
| Rwork | 0.178 |
| R-free | 0.19590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2t |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.919 |
| 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] | 45.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.266 |
| Number of reflections | 36987 | |
| <I/σ(I)> | 21.9 | 9.3 |
| Completeness [%] | 98.7 | 99.6 |
| Redundancy | 9.5 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 293 | 0.2M ammonium acetate, 0.1M sodium acetate, 30% PEG 4000, pH 4.6, VAPOR DIFFUSION, temperature 293K |
