5HYO
X-Ray Structure of Unbound Porcine Epidemic Diarrhea Virus 3CLpro
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9878 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.586, 76.292, 119.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.466 - 2.104 |
R-factor | 0.208 |
Rwork | 0.204 |
R-free | 0.26890 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.411 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.466 |
High resolution limit [Å] | 2.100 |
Number of reflections | 31793 |
<I/σ(I)> | 26.2 |
Completeness [%] | 94.4 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 273 | Isopropanol, PEG-3500 |