Table 1 Data collection and refinement statistics.
From: Targeting novel LSD1-dependent ACE2 demethylation domains inhibits SARS-CoV-2 replication
Data collection and processing | IMPα:ACE2 |
|---|---|
Wavelength (Å) | 0.9537 |
Resolution range (Å) | 29.98–2.20 (2.27–2.20) |
Space group | P 21 21 21 |
Unit cell (Å, o) | 78.94 89.95 100.09 90 90 90 |
Total reflections | 252,620 (21,940) |
Unique reflections | 36,873 (3125) |
Multiplicity | 6.9 (7.0) |
Completeness (%) | 99.9 (99.8) |
Mean I/sigma(I) | 15.9 (1.8) |
Wilson B-factor Å2 | 33.4 |
R-merge | 0.095 (1.095) |
R-pim | 0.054 (0.649) |
CC1/2 | 0.999 (0.807) |
Refinement | |
Number of reflections | 36,805 |
Number of R-free reflections | 1803 |
R-work (%) | 0.1863 |
R-free (%) | 0.2099 |
RMS (bonds) | 0.004 |
RMS (angles) | 0.67 |
Ramachandran plot | |
Favored (%) | 98.83 |
Allowed (%) | 1.17 |
Outliers (%) | 0 |
Average B-factor Å2 | 48.08 |
Clash score | 2.92 |
PDB accession code | 7JVO |
