Table 1.
Crystallographic statistics for data obtained at room temperature using on-chip diffraction of CaMKIIβ.a
| On-chip CaMKIIβ hub domain (PDB:7URY) | |
|---|---|
| Data collection | |
| Space group | C2221 |
| Cell dimensions | |
| a, b, c (Å) | 105.71, 182.8, 110.52 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 50 – 2.64 (2.69 – 2.64) |
| R merge | 0.072 (0.443) |
| Mean I/σI | 4.4 (1.86) |
| Completeness (%) | 88.9 (91.5) |
| Redundancy | 3.6 (3.7) |
| CC1/2 | 0.997 (0.826) |
| CC* | 0.999 (0.951) |
| Refinement | |
| Resolution (Å) | 38.23 – 2.64 (2.707 – 2.64) |
| Unique reflections | 26822 (1942) |
| Rwork/Rfree (%) | 20.37/23.53 |
| No. atoms | |
| Protein | 7036 |
| Water | - |
| Ligand | 36 |
| Ramachandran plot | |
| In preferred regions (%) | 98.86 |
| In allowed regions (%) | 1.02 |
| Outliers (%) | 0.11 |
| B-factors | |
| Protein | 58.1 |
| Water | - |
| Ligand | 85.71 |
| R.M.S. deviationsb | |
| Bond lengths (Å) | 0.0044 |
| Bond angles (°) | 1.3236 |
a
Statistics for the high-resolution shell are indicated between brackets
b
Comparison of the final value for the geometric parameter (bond distance, bond angle etc.) to the ideal value, taken from the dictionary.65