Table 3.
Structure refinement statistics for pNB esterases
| Protein | Resolution Å | Rfree | Rcryst | rms deviation
|
Amino acids | #Waters | #Ions | |
|---|---|---|---|---|---|---|---|---|
| Bonds | Angles | |||||||
| 5-6c8 | 25–1.6 | 23.2 | 21.8 | 0.0055 | 1.470 | 2–484 | 272 | 2 |
| WT | 25–1.5 | 24.0 | 22.0 | 0.0049 | 1.348 | 2–65, 75–413, 421–484 | 380 | 2 |
| 8g8 | 25–2.0 | 24.9 | 21.1 | 0.0059 | 1.313 | 2–484 | 161 | 1 |
Rfree = Rcryst calculated with 10% of the data chosen at random and not used in refinement. Rcryst = 100*Σ|Fobs − Fcalc|/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure factors.