Table 3. Crystallographic data collection and model refinement statistics for SAT2 3C^pro.

Data collection
Space-group	P32
a, b, c (Å)	54.0, 54.0, 318.5
α, β, γ (°)	α = β = 90; γ = 120
Resolution range (Å)	53.1–3.2 (3.37–3.2)
No. of independent reflections	17,053
Multiplicitya	2.7 (2.7)
Completeness (%)	99.3 (99.5)
$I∕{\sigma }_{\mathbf{I}}$	5.7 (1.7)
$R_{\mathrm{merge}}\left(\text{\%}\right)$b	11.6 (42.4)
Model refinement
No. of Non-hydrogen atoms	7,535
$R_{\mathrm{work}}\left(\text{\%}\right)$c	22.2
$R_{\mathrm{free}}$ (%)d	27.2
Average B-factor (Å2)	119
RMS deviations—Bonds (Å)e	0.006
RMS deviations—Angles (°)	1.1
Ramachandran plot (favoured/allowed) %	89.8/10.2
PDB Accession Code	5HM2

Notes.

^aValues for highest resolution shell given in parentheses.

^b$R_{\mathrm{merge}}=100\times {\Sigma }_{hkl}|I_j\left(hkl\right)-〈I_j\left(hkl\right)〉∕{\Sigma }_{hkl}{\Sigma }_{j}I\left(hkl\right)$, where I_j(hkl) and 〈I_j(hkl)〉 are the intensity of measurement j and the mean intensity for the reflection with indices hkl, respectively.

^c$R_{\mathrm{work}}=100\times {\Sigma }_{hkl}\left|\right|F_{\mathrm{obs}}|-|F_{\mathrm{calc}}\left|\right|∕{\Sigma }_{hkl}\left|F_{\mathrm{obs}}\right|$.

^d$R_{\mathrm{free}}$ is the $R_{\mathrm{model}}$ calculated using a randomly selected 5% sample of reflection data that were omitted from the refinement.

^eRMS, root-mean-square; deviations are from the ideal geometry defined by the Engh and Huber parameters (Engh & Huber, 1991).