8TQJ
MPI57 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 | 2021-05-20 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54301 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 51.496, 80.679, 90.233 |
| Unit cell angles | 90.00, 96.92, 90.00 |
Refinement procedure
| Resolution | 24.230 - 1.850 |
| R-factor | 0.2139 |
| Rwork | 0.213 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.185 |
| 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] | 24.230 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.025 | 0.123 |
| Rmeas | 0.035 | 0.175 |
| Rpim | 0.025 | 0.123 |
| Number of reflections | 30883 | 3050 |
| <I/σ(I)> | 16.68 | 4.1 |
| Completeness [%] | 98.5 | 96.87 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.999 | 0.975 |
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 |
