7C2Y
The crystal structure of COVID-2019 main protease in the apo state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-05-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.880, 102.340, 103.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.770 - 1.910 |
R-factor | 0.221504456976 |
Rwork | 0.220 |
R-free | 0.26169 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lu7 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.887 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.770 | 1.960 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.049 | 1.407 |
Number of reflections | 743898 | 54845 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 99.9 | |
Redundancy | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | 0.1M HEPES sodium pH 7.5, 10% Propanol ,20% PEG 4000 |