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 |