TABLE 1.
Data collection and processing
| Parameter | Native | Mercuric acetate derivative |
|---|---|---|
| Space group | P63 | P63 |
| Cell dimensions (Å) | a = b = 102.5 | a = b = 102.3 |
| c = 117.5 | c = 117.5 | |
| Resolution range (Å) | 20.0-1.9 | 20.0-2.9 |
| Mosaicity (°) | 0.6 | 0.3 |
| Rmerge (%)a | 6.9 (31.2) | 18.1 (45.4) |
| No. of unique reflections | 54,630 | 15,453 |
| Mean I/σa | 14.4 (3.1) | 10.0 (2.6) |
| Multiplicitya | 3.35 | 6.18 |
| Completeness (%)a | 99.3 (96.1) | 99.4 (98.1) |
| Riso (%) | 23.7 | |
| Rano (%) | 8.6 | |
| RCullis (centric, acentric) | 0.77, 0.74 | |
| Phasing power (centric, acentric) | 1.06, 1.40 |
a
Values in parentheses are for the outermost shell of data.