Table III.
X-Ray Data and Refinement Statistics
| Data collection statisticsa | |
|---|---|
| Cell parameters a, b, c (Å) | 78.1, 85.9, 176.3 |
| Space group | P212121 |
| Resolution (Å) | 2.2 (2.33–2.20) |
| Completeness (%) | 99.2 (96.6) |
| Multiplicity | 4.7 |
| I/σI | 11.43 (2.8) |
| No. of observations | 288,334 (39,957) |
| No. of unique observations | 60,915 (9432) |
| Rsym | 9.5 (54.5) |
| Refinement statistics | |
| Average B factor | 43.8 |
| No. of nonhydrogen atoms/waters | 9153/452 |
| RMSD bond (Å)/angle (°) | 0.005/0.923 |
| Ramachandran (%)b | 90.1/9.0/0.7/0.2 |
| R/Rfreec | 20.0/25.5 |
| PDB code | 3DWF |
a
Statistics as reported by XDS.
b
Percentage of nonglycine, nonproline residues in the core/allowed/generously allowed/disallowed regions of the Ramachandran plot.
c
Five percent of reflections set aside for cross-validation.