TABLE 2.
Csa2 model refinement
| Data | |
|---|---|
| Rworka (%) | 18.3 (20.0) |
| Rfreeb (%) | 22.1 (24.6) |
| Real space CCc (%) | 0.960 |
| Mean B value (overall; Å2) | 22.155 |
| Coordinate error (based on maximum likelihood, Å) | 0.096 |
| Root mean square deviation from ideality | |
| Bonds (Å) | 0.006 |
| Angles (°) | 0.930 |
| Ramachandran plotd | |
| Most favored (%) | 98.08 |
| Additional allowed (%) | 1.92 |
| PDB accession code | 3PS0 |
a Rwork = Σ‖Fo| − Fc‖/Σ|Fo|, where Fo and Fc are the observed and calculated structure factor amplitudes used in refinement.
b Rfree is calculated as Rwork, but using the test set of structure factor amplitudes that were withheld from refinement (4.9%). Numbers in parentheses refer to the fit to the reflections in the highest resolution bin (2.051–2.000 Å).
c Correlation coefficient (CC) is agreement between the model and 2m Fo − DFc density map.
d Calculated using Molprobity (53).