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 |