Table 1. Crystallographic data and refinement statistics for lysozyme adducts.
| Cu-cyclam | Cu2-bicyclam | |
|---|---|---|
| Data statistics | ||
| Space group | P43212 | P43212 |
| Unit cell | ||
| a, Å | 77.9064 | 78.258 |
| b, Å | 77.9064 | 78.258 |
| c, Å | 37.7624 | 37.900 |
| α, β, γ, ° | 90, 90, 90 | 90, 90, 90 |
| Resolution range,* Å | 39-1.75 (1.84-1.75) | 39-1.6 (1.69-1.6) |
| Molecules per asymmetric unit | 1 | 1 |
| Observed reflections | 81,871 | 111,324 |
| Unique reflections | 12,234 | 16,097 |
| I/σ* | 6.1 (2.0) | 8.5 (2.0) |
| Completeness,* % | 99.9 (99.9) | 100 (100) |
| Multiplicity* | 6.7 (6.8) | 6.9 (6.9) |
| Rsym,* % | 8.1 (34) | 6.1 (36.2) |
| Refinement | ||
| R/Rfree, % | 17.6/23.3 | 17.7/22.3 |
| rms bonds, Å | 0.015 | 0.014 |
| rms angles, ° | 1.577 | 1.55 |
| Average isotropic B, Å2 | 19.55 | 17.63 |
*
Numbers in parentheses refer to high shell