7UU7
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2021-02-08 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54301 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 51.958, 83.345, 90.140 |
Unit cell angles | 90.00, 96.80, 90.00 |
Refinement procedure
Resolution | 24.600 - 2.490 |
R-factor | 0.1973 |
Rwork | 0.195 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jpy |
RMSD bond length | 0.009 |
RMSD bond angle | 1.058 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.600 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 13185 | 1278 |
<I/σ(I)> | 19.4 | |
Completeness [%] | 98.2 | |
Redundancy | 9.5 | |
CC(1/2) | 0.999 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Bis-tris, pH6.5, 16% w/v PEG10k |