TABLE 1.

Crystallographic data collection and refinement statistics

Category and parameterValue for complex of chimeric ACE2 and RBD from:
hTor02cSz02cGd05
Dataa
    Space groupP21P21P21
    Cell constants (Å, °)a = 80.0, b = 119.8, c = 108.8, β = 96.2a = 80.4, b = 119.8, c = 109.4, β = 95.9a = 80.4, b = 119.8, c = 109.8, β = 95.5
    Resolution (Å)50 − 2.850 − 3.150 − 2.9
    Mosaicity (°)0.60.50.7
    Rsymm (last shell) (%)b6.2 (37.3)14.4 (84.7)7.9 (83.2)
    Observed reflections758,569485,595768,112
    Unique reflections50,66038,82646,550
    Completeness (last shell) (%)95.0 (64.1)98.9 (94.7)99.5 (99.8)
    I/σ (last shell)19.1 (2.3)11.4 (1.3)19.0 (1.8)
Refinement
    Rwork (Rfree) (%)c21.4 (27.9)22.0 (30.2)22.4 (27.9)
    Rfree reflections (%)555
    Correlation coefficient (F0Fc)0.9340.9200.930
    Correlation coefficient (F0Fc) (free)0.8940.8570.892
    Bond lengths (Å) root mean square0.0100.0110.010
    Bond angles (°) root mean square1.2701.2931.243
    CHIRAL root mean square0.0900.0840.082
  • a Data were collected at λ = 0.979 Å at APS beamline 19BM.

  • b Rsymm= Σi,hIi,h − 〈Ih〉/Σi,hIi,h, where 〈Ih〉 is the mean of the i observations of the reflection h.

  • c Rwork = Σ‖F0Fc‖/ΣF0. Rfree is the same statistic but is calculated from a subset of the data (5%) that has not been used using refinement.