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. 2020 Apr 21;64(5):e00106-20. doi: 10.1128/AAC.00106-20

TABLE 2.

Data collection and refinement statistics for the PaPBP3-ceftobiprole complex

Parameter Valuea
Wavelength (Å) 1.194990
Data range (Å) 1.76–39.61 (1.76–1.79)
Space group P212121
Cell dimensions
    Distances (Å) 68.19, 83.74, 89.92
    Angles (°) 90, 90, 90
Completeness (%) 99.8 (96.6)
No. of unique reflections 51,816 (2,811)
Total no. of observations 692,945
Average multiplicity 13.4 (11.8)
Mean I/σ(I) 25.2 (2.3)
Rmerge 0.047 (0.984)
Rwork 0.204
Rfree 0.252
Resolution (Å) 1.76–39.61
Ligands Ceftobiprole, 2 chloride ions
No. of water molecules 242
RMSD
    Bond lengths (Å) 0.008
    Bond angles (°) 1.278
a

Values in parentheses are for the highest-resolution shell.