TABLE 1.
Summary of data collection and refinement statistics of the ILK KD/α-parvin CH2 complex in the presence of MnATP
| Data collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 44.02, 116.28, 47.28 |
| α, β, γ (°) | 90, 101.53, 90 |
| Resolution range (Å) | 43.13–1.80 (1.86–1.80)a |
| No. of total reflections | 209,047 |
| No. of unique reflections | 40,605 |
| I/σ(I) | 26.2 (8.0)a |
| Completeness (%) | 94.2 (76.2)a |
| Rmerge | 0.034 (0.136)a |
| Average redundancy | 5.15 (4.22)a |
| Refinement | |
| Resolution limit (Å) | 6.0–1.8 |
| No. of unique reflections | 39,349 |
| Rwork | 0.204 |
| Rfree | 0.237 |
| No. of non-hydrogen atoms | |
| Protein | 3,157 |
| ATP/Mn | 31/1 |
| Water | 328 |
| B-factors (Å2) | |
| Protein (overall) | 28.1 |
| ILK KD | 20.5 |
| CH2 | 35.7 |
| ATP/Mn | 19.3/20.4 |
| Water | 32.7 |
| RMSD | |
| Bond length (Å) | 0.017 |
| Bond angle (°) | 1.4 |
| Ramachandran plot, residues in | |
| Most favored regions | 321 (93.6%) |
| Additionally allowed regions | 22 (6.4%) |
| Generally allowed regions | 0 (0.0%) |
| Disallowed regions | 0 (0.0%) |
a Highest resolution shell is shown in parentheses.