Table 1. Statistics of crystallographic analysis
DVV Vancomycin
Resolution, Å 30.0-2.8 30.0-2.8
Completeness, % 99.2 98.3
Average I/σ(I) 15.1 12.6
Rsym* (highest shell) 8.1 (29.5) 7.2 (23.6)
Reflections 31,308 30,058
Protein atoms 5,648 5,593
Ligand atoms 207 126
Waters 133 49
R cryst 21.3 22.8
R free 25.0 27.4
〈B〉, Å2 44.2 64.2
rmsd bonds, Å 0.008 0.007
rmsd angles, ° 1.39 1.40
  • * Rsym = Σ|I- 〈I〉|/ΣI, where I is the observed intensity of a measured reflection, and 〈I〉 is the mean intensity of that reflection.

  • Rcryst = Σ|Fob - Fcalc|/Σ|Fob|.

  • Rfree = R factor calculated for 5% of data omitted from refinement calculations.