Table 2. Comparison of refinement statistics for insulin.
Uncorrected data and data corrected for dynamical scattering, as well as different charge states of the Zn atom, are compared.
| Zn | Zn0.5+ | Zn0.75+ | Zn1+ | Zn2+ | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Uncorrected data | Corrected data | Uncorrected data | Corrected data | Uncorrected data | Corrected data | Uncorrected data | Corrected data | Uncorrected data | Corrected data | |
| Occupancy | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| Zinc B factor (Å2) | 19.39 | 19.49 | 23.31 | 23.96 | 23.65 | 27.83 | 39.36 | 34.33 | 82.41 | 418.6 |
| 〈B factor〉 (His10D NE2) (Å2) | 31.07 | 33.48 | 32.32 | 34.41 | 32.70 | 34.58 | 32.95 | 34.85 | 29.95 | 38.79 |
| R work | 0.181 | 0.177 | 0.185 | 0.184 | 0.184 | 0.184 | 0.188 | 0.186 | 0.196 | 0.193 |
| R free | 0.319 | 0.298 | 0.313 | 0.275 | 0.327 | 0.278 | 0.308 | 0.279 | 0.318 | 0.283 |