7E6M
Crystal structure of Human coronavirus NL63 3C-like protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-01-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.508, 80.693, 63.287 |
| Unit cell angles | 90.00, 108.21, 90.00 |
Refinement procedure
| Resolution | 60.116 - 1.834 |
| R-factor | 0.192975385292 |
| Rwork | 0.191 |
| R-free | 0.22527 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tlo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.116 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.060 | 0.285 |
| Number of reflections | 52288 | 3849 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2M Potassion formate, 20% w/v Polyethylene glycol 3350 |
