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. 2021 May 24;118(22):e2102092118. doi: 10.1073/pnas.2102092118

Table 1.

Crystal structures data collection and refinement statistics

Proteins PilB PilBD319A
(PDB) (7B7P) (7BA2)
Maximum resolution (Å) 2.26 3.00
Space group P61 P61
Unit cell parameters
  a, b, c (Å) 124.38, 124.38, 140.74 120.95, 120.95, 151.25
  α, β, ɣ (°) 90, 90, 120 90, 90, 120
  Number of observations 329,504 208,399
  Number of unique observations 57,372 25,101
  Rmerge (%) 6.2 16.6
  I/σI 13.4 7.6
  CC 1/2 0.999 0.998
  Resolution range used for refinement 56.88 to 2.26 75.63 to 3.00
  Completeness (%) 99.4 93.8
  R factor (%) 20.5 24.1
  Free R factor (%) 23.7 28.3
  Ramachandran favored (%) 93.4 90.1
  Ramachandran allowed (%) 6.4 8.6
  Ramachandran outliers (%) 0.2 1.3
RMSD from ideal values
  bond length (Å) 0.008 0.005
  bond angles (°) 0.974 1.273