7UU8
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 | 52.151, 83.650, 89.383 |
Unit cell angles | 90.00, 95.95, 90.00 |
Refinement procedure
Resolution | 24.650 - 2.500 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jpy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.251 |
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] | 24.650 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 13224 | 1419 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 99.3 | |
Redundancy | 9.4 | |
CC(1/2) | 0.997 | 0.914 |
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 |