6ELY
Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 106.677, 106.677, 312.569 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.500 - 2.840 |
| R-factor | 0.1663 |
| Rwork | 0.164 |
| R-free | 0.21812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sz6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.109 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.500 |
| High resolution limit [Å] | 2.840 |
| Number of reflections | 25725 |
| <I/σ(I)> | 17.4 |
| Completeness [%] | 99.8 |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 2.5 | 294 | Crystallization solution was comprised of ammonium sulphate (30 to 36% w/v), 0.1 M glycine (pH 2.5) and dioxane (4%) in hanging drop vapor diffusion setup. Hexagonal bi-pyramidal crystals were grown within four days. |
