Table 1.
Data collection and refinement statistics for the Ca2+ CaM/SPC complex
| Parameter | Ca2+CaM/SPC |
|---|---|
| Data collection | |
| Space group | P 3221 |
| Cell dimensions | |
| a, b, c (Å) | 39.67, 39.67, 170.34 |
| α, β, γ (°) | 90, 90, 120 |
| Resolution (Å) | 29.393–1.60 (1.69–1.60) |
| Rmergea | 0.105 (0.446) |
| I/σI | 12.3 (4.1) |
| Completeness (%) | 100.0 (100.0) |
| Redundancy | 8.6 (7.9) |
| Refinement | |
| Resolution (Å) | 29.09–1.60 (1.64–1.60) |
| Reflections | 20,426 (1554) |
| Rwork/Rfree | 0.195/0.238 (0.200/0.252) |
| Atoms | |
| Protein | 1096 |
| Ligand/ion | 80 SPC/4Ca2+ |
| Water | 79 |
| B factors (Å2) (net/residual)b | |
| Protein | 32.168/26.664 |
| Ligand | 71.108/48.393 |
| Ion | 21.570/18.778 |
| Water | 34.547 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.025 |
| Bond angles (°) | 2.085 |
Values in parentheses are for highest-resolution shell.
a
A high-resolution and a low-resolution data set were collected from the same crystal and were merged.
b
Net B factors are sum of the residual and TLS contributions.