7DG6
Structure of SARS-Cov2-Mpro-1-302
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-28 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5406 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 63.669, 44.551, 107.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.060 - 2.400 |
R-factor | 0.1781 |
Rwork | 0.175 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lu7 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.060 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 12509 | 1230 |
<I/σ(I)> | 10.54 | |
Completeness [%] | 99.5 | |
Redundancy | 5.1 | |
CC(1/2) | 0.986 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M bicine, pH=9.0, 10% PEG20000, 2% 1,4-dioxane |