Table 1. Data-processing statistics for the AtCSN7 core crystals.
Values in parentheses are for the highest resolution shell. Data were collected on a rotating-anode source as described in §2.3.
| Wavelength (Å) | 1.5418 |
| Temperature (K) | 110 |
| Space group | C2221 |
| Unit-cell parameters (Å) | |
| a (Å) | 57.2 |
| b (Å) | 85.8 |
| c (Å) | 72.2 |
| α = β = γ (°) | 90 |
| Unit-cell volume (Å3) | 354340.3 |
| VM (Å3 Da−1) | 2.3 |
| Solvent content (%) | 48 |
| Resolution range (Å) | 50.0–2.1 (2.2–2.1) |
| Total reflections | 38640 (1942) |
| Unique reflections | 10424 (842) |
| Completeness (%) | 97.5 (80.6) |
| Rmerge† (%) | 4.7 (16.6) |
| I/σ(I) | 22.8 (3.7) |
†
R
merge = 
, where Ihkl is the intensity of a reflection and 〈I〉hkl is the average of all observations of this reflection and its symmetry equivalents.