8TQL
MPI54 bound to Mpro of SARS-CoV-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2021-05-28 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54301 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 51.590, 81.437, 89.815 |
| Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.900 |
| R-factor | 0.2385 |
| Rwork | 0.237 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.047 | 0.216 |
| Rmeas | 0.067 | 0.306 |
| Rpim | 0.047 | 0.216 |
| Number of reflections | 28080 | 2873 |
| <I/σ(I)> | 10.66 | 3.21 |
| Completeness [%] | 96.4 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.997 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M Ammonium phosphate dibasic, 17% W/v PEG3350, pH8.0 |
