7D3C
The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.620, 93.223, 103.015 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.222 - 2.200 |
| R-factor | 0.2244 |
| Rwork | 0.222 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uj1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.309 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 240588 | 5134 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 5.67 | |
| CC(1/2) | 0.800 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 200 mM Trimethylamine N-oxide dihydrate, 0.02 M cadmium chloride hydrate, 100 mM Tris-HCl (pH 8.5), and 16% w/v polyethylene glycol monomethyl ether 2000 |
