Table 1. Data-collection statistics for S. mutans PNP.
Values in parentheses are for the highest resolution shell.
| Resolution (Å) | 18.8–2.0 (2.1–2.0) |
| Completeness (%) | 90.2 (100.0) |
| Rmerge† (%) | 4.0 (8.1) |
| Mean I/σ(I) | 29.6 (16.8) |
| Space group | H3 |
| Unit-cell parameters (Å) | a = b = 113.0, c = 60.1 |
| No. of observed reflections | 87487 (13240) |
| No. of unique reflections | 17443 (2603) |
| Molecules per ASU | 1 |
| VM‡ (Å3 Da−1) | 2.6 |
| Solvent content (%) | 53 |
R
merge =
, where I
i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the mean intensity of all observations of reflection hkl.
Matthews (1968 ▶).