Figure 6个  Table 1个
    • Parameters Value
      Data collection
      Wavelength (Å) 0.9793
      Space group P21
      Cell dimensions
        a, b, c (Å) 57.93, 159.6, 63.55
        α, β, γ (°) 90, 91.2, 90
      Resolution (Å)a 50.0–1.96 (2.06–1.96)
      I/σ 17.9 (2.7)
      Rmerge 0.062 (0.673)
      Completeness (%) 99.8 (99.7)
      Total No. of reflections 555, 159
      Unique reflections 82, 763
      Redundancy 6.7 (5.8)
      Refinement
      Resolution (Å) 50.0–1.96
      No. of reflections 75, 133
      Rwork/Rfree (%) 19.97/22.56
      No. of atoms
        Protein 8406
        Ligand/ion 18
        Water 925
      B-factors (Å2)
        Protein 34.26
        Ligand/ion 39.12
        Water 42.08
      r.m.s. deviationsb
        Bond lengths (Å) 0.003
        Bond angles (º) 1.29
      Ramachandran Plot (%)c 96.8/3.2/0.0
      aStatistics for highest resolution shell.
      bRoot mean square deviations
      cResidues in favored, allowed, and outlier regions of the Ramachandran plot.

      Table 1.  Data collection and refinement statistics of SARS-CoV-2 nsp21-276 (PDB: 7EXM)