TABLE 2.
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 |
Values in parentheses are for the highest-resolution shell.