TABLE 4.
Data collection and refinement statistics for FetP
| As-isolated FetP | Cu-FetP | |
|---|---|---|
| Data collectiona | ||
| Resolution range (Å) | 50.00–1.60 | 38.41–1.70 |
| (1.69–1.60) | (1.79–1.70) | |
| Space group | P32 | P212121 |
| Cell dimensions (Å) | a = 134.85 | a = 38.41 |
| b = 134.85 | b = 51.97 | |
| c = 45.42 | c = 146.65 | |
| Wavelength (Å) | 0.97964 | 0.97641 |
| Unique reflections | 114166 | 31725 |
| Completeness (%) | 93.6 (88.1) | 96.7 (93.5) |
| Average I/σI | 8.3 (2.4) | 11.5 (2.9) |
| Redundancy | 4.1 (3.6) | 4.8 (4.2) |
| Rmerge | 0.080 (0.393) | 0.030 (0.143) |
| Refinement | ||
| Rwork/Rfree | 0.171/0.208 | 0.196/0.235 |
| No. of waters | 356 | 223 |
| Average B-factors (Å2) | ||
| All atoms | 21.1 | 32.8 |
| Protein | 20.8 | 32.2 |
| Copper | 22.7 | |
| Waters | 25.4 | 40.3 |
| Root mean square deviation, bond lengths (Å) | 0.012 | 0.012 |
| Ramachandran plot | ||
| Most favorable (%) | 96.6 | 98.9 |
| Allowed (%) | 3.1 | 0.7 |
| Protein Data Bank code | 3NRP | 3NRQ |
a Values for the highest resolution shell are shown in parentheses.