3I27
Structure of bovine torovirus Hemagglutinin-Esterase in complex with receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9732 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.630, 112.890, 273.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.920 - 2.000 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.21004 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i26 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.457 |
| 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 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.340 |
| Number of reflections | 141525 | |
| <I/σ(I)> | 12 | 3.8 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 3.7 | 3.7 |
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 |
