TABLE 2.

Data collection, processing, and refinement statistics

ParameterValueb for BlaC
Data collection
    Maximum resolution (Å)1.72
    Space groupP212121
    a (Å)42.7
    b (Å)71.3
    c (Å)85.2
    Unique reflections25,908 (2,808)
    Rsyma (%)11.4 (30.6)
    Completeness (%)91.1 (100)
    Redundancy6.8 (6.9)
    I23.2 (6.8)
Refinement statistics
    Resolution range (Å)54.64-1.72
    Number of reflections24,570
    Number of atoms/subunit
        Protein2,230
        Solvent248
    Rcryst (%)17.9
    Rfree (%)21.4
    Avg B factors (Å2)
        Protein20.7
        Solvent32.8
    RMSD from ideal values
        Bonds (Å)0.011
        Angles (°)1.44
  • a R sym = ∑hkliIi(hkl)−〈I(hkl)〉/∑hkliIi(hkl), where Ii is the intensity of observation and 〈I〉 is the mean intensity of reflection.

  • b The numbers given in parentheses denote the respective values of the highest-resolution shell.