Table 2 X-ray crystallographic data collection and refinement statistics
From: Receptor-binding loops in alphacoronavirus adaptation and evolution
HCoV-229E RBD–hAPN | |
|---|---|
Data collection | |
Space group | P3121 |
Cell dimensions | |
a, b, c (Å) | 153.8, 153.8, 322.1 |
α, β, γ (°) | 90, 90, 120 |
Wavelength(Å) | 0.9795 |
Resolution (Å) | 50–3.5 (3.6–3.5) |
No. of total reflections | 229,646 (22,754) |
No. of unique reflections | 55,987 (5490) |
CC1/2 | 99.1 (68.1) |
CC* | 99.8 (90) |
R sym | 0.16 (0.70) |
R pim | 0.08 (0.33) |
I/σI | 10.9 (2.7) |
Completeness (%) | 99.6 (99.8) |
Redundancy | 4.1 (4.2) |
Refinement | |
Resolution (Å) | 50–3.5 |
No. of reflections | 55,969 |
R work/R free | 0.24 (0.31) /0.27 (0.32) |
No. of atoms | |
Protein | 23306 |
N-glycans | 353 |
Water | 0 |
B-factors (Å2) | |
Protein | 102 |
N-glycans | 110 |
Wilson B-value (Å2) | 95 |
R.m.s. deviations | |
Bond lengths (Å) | 0.004 |
Bond angles (°) | 0.71 |
Ramachandran stats. (%) | |
Favored | 97 |
Outlier | 0 |
