Table 3

Structure refinement statistics for pNB esterases

ProteinResolution ÅRfreeRcrystrms deviation Amino acids#Waters#Ions
BondsAngles
5-6c825–1.623.221.80.00551.4702–4842722
WT25–1.524.022.00.00491.3482–65, 75–413, 421–4843802
8g825–2.024.921.10.00591.3132–4841611
  • Rfree = Rcryst calculated with 10% of the data chosen at random and not used in refinement. Rcryst = 100*Σ|FobsFcalc|/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure factors.