3D23
Main protease of HCoV-HKU1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 41 |
| Unit cell lengths | 91.770, 91.770, 187.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.232 |
| Rwork | 0.229 |
| R-free | 0.28500 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.083 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | |
| Number of reflections | 108501 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 99.8 | 98.1 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | sodium acetate, pH 6.0, vapor diffusion, hanging drop, temperature 298K |
