8TQU
MPI51 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 | 54.552, 81.096, 86.908 |
Unit cell angles | 90.00, 97.31, 90.00 |
Refinement procedure
Resolution | 24.180 - 1.850 |
R-factor | 0.2365 |
Rwork | 0.235 |
R-free | 0.26940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.198 |
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] | 24.180 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.066 | 0.484 |
Rmeas | 0.093 | 0.684 |
Rpim | 0.066 | 0.484 |
Number of reflections | 31907 | 3142 |
<I/σ(I)> | 7.99 | 0.768 |
Completeness [%] | 99.1 | |
Redundancy | 1.8 | |
CC(1/2) | 0.996 | 0.768 |
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 |