3CL4
Crystal structure of bovine coronavirus 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 | 2006-03-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 88.830, 88.830, 282.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.050 - 2.100 |
| R-factor | 0.18107 |
| Rwork | 0.179 |
| R-free | 0.21154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1FLC chain A resi 40-400 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.135 | 0.804 |
| Number of reflections | 39252 | |
| <I/σ(I)> | 12.8 | 2.5 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 8.4 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M KH2PO4, 10% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
