3I26
Structure of bovine torovirus Hemagglutinin-Esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.790, 113.430, 273.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.160 - 1.800 |
| R-factor | 0.18936 |
| Rwork | 0.188 |
| R-free | 0.21778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i1k |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.485 |
| Number of reflections | 186978 | |
| <I/σ(I)> | 14.4 | 3.6 |
| Completeness [%] | 95.3 | 86.3 |
| Redundancy | 5.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2M sodium malonate, 0.1M Bis-Tris propane, pH 8.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
