Table 2. Data-collection and refinement statistics for the 14-3-3σ–SHN3pS542 and 14-3-3σ–SHN3pT869 crystal structures.
Values in parentheses are for the highest resolution shell.
| 14-3-3σ–SHN3pS542 | 14-3-3σ–SHN3pT869 | |
|---|---|---|
| Data collection | ||
| Space group | C2221 | C2221 |
| a, b, c (Å) | 82.76, 112.83, 62.93 | 83.29, 113.63, 63.20 |
| Resolution (Å) | 28.46–1.37 (7.52–1.37) | 56.72–1.59 (8.68–1.59) |
| R merge (%) | 0.050 (0.32) | 0.042 (0.15) |
| 〈I/σ(I)〉 | 14.1 (3.2) | 19.3 (5.6) |
| Completeness (%) | 99.9 (99.9) | 99.8 (99.7) |
| Multiplicity | 5.2 (3.4) | 5.2 (3.5) |
| CC1/2 | 0.99 (0.84) | 0.99 (0.96) |
| Refinement | ||
| Resolution (Å) | 28.46–1.37 | 56.72–1.59 |
| No. of reflections | 61661 | 40935 |
| R work/R free | 0.14/0.16 | 0.13/0.15 |
| No. of atoms | ||
| Protein | 2124 | 2121 |
| Water | 412 | 394 |
| B factors (Å2) | ||
| Protein | 17.89 | 19.66 |
| Water | 34.35 | 35.67 |
| R.m.s.d. | ||
| Bond lengths (Å) | 0.018 | 0.011 |
| Bond angles (°) | 1.56 | 1.02 |
| Ramachandran statistics (%) | ||
| Favoured | 97.91 | 98.32 |
| Allowed | 2.09 | 1.68 |
| Outliers | 0.00 | 0.00 |