8TQT
MPI52 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 | 2021-04-09 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54301 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 54.340, 80.760, 86.144 |
| Unit cell angles | 90.00, 97.20, 90.00 |
Refinement procedure
| Resolution | 44.840 - 1.650 |
| R-factor | 0.2234 |
| Rwork | 0.223 |
| R-free | 0.23870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.257 |
| 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] | 44.840 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.046 | |
| Rmeas | 0.065 | |
| Rpim | 0.046 | |
| Number of reflections | 44318 | 4383 |
| <I/σ(I)> | 7.05 | |
| Completeness [%] | 99.8 | |
| Redundancy | 2 | |
| CC(1/2) | 0.997 | 0.480 |
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 |
