Table 1. Talin-F2F3/talin-RS complex diffraction data and refinement statistics.
| Crystallographic data | |
|---|---|
| dmin (Å) | 2.05 (2.05 ∼ 2.10)a |
| Measured reflections | 19,565 |
| Average redundancy | 8.8 |
| Mean I/σ (I) | 15.8 |
| Completeness (%) | 87.8 (51.2) |
| R merge b | 0.150 (0.519) |
| Refinement statistics | |
| Bragg spacing (Å) | 34.89 - 2.05 |
| Space group | P212121 |
| Cell parameters | |
| a (Å) | 36.7 |
| b (Å) | 86.9 |
| c (Å) | 113.6 |
| Reflections in working set | 18,519 |
| Reflections in test set | 1046 |
| R cryst c | 0.210 |
| R free d | 0.249 |
| r.m.s.d. bonds (Å) | 0.013 |
| r.m.s.d. angles (°) | 1.579 |
| Average B-factor (Å2) | 51.9 |
aValues in parentheses indicate the corresponding statistics in the highest resolution shell.
bRmerge = (∑|Ii − 〈Ii〉|)/∑|Ii|, where Ii is the integrated intensity of a given reflection.
cRcryst = (∑||Fo| − |Fc||)/∑|Fo|, where Fo and Fc denote observed and calculated structure factors, respectively.
dRfree is equivalent to Rcryst, but calculated using randomly chosen 10% reflections as the test set, which were excluded from refinement process.