1USX
Crystal structure of the Newcastle disease virus hemagglutinin-neuraminidase complexed with thiosialoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 115.070, 115.070, 283.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.700 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Phasing software | CCP4 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.079 * | 0.254 * |
| Total number of observations | 454555 * | |
| Number of reflections | 39099 * | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 90.4 * | 88.4 * |
| Redundancy | 10.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.3 * | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | thiosialoside | 100 (mM) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | |
| 4 | 1 | reservoir | PEG3350 | 20 (%) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH6.3 |
| 6 | 1 | reservoir | 2 (mM) |
