TABLE 1.
Diffraction data collection and refinement statistics for 14-3-3 bound with NiV W C-terminus
| Data collection and refinement parameters | Valuea |
|---|---|
| Resolution range (Å) | 24.69 to 2.3 (2.382 to 2.3) |
| Space group | C 2 2 21 |
| Unit cell dimensions | |
| a, b, c (Å) | 83.04, 112.00, 62.50 |
| α, β , γ (°) | 90, 90, 90 |
| Total no. of reflections | 63,050 (5,697) |
| No. of unique reflections | 13,246 (1,277) |
| Multiplicity | 4.8 (4.5) |
| Completeness (%) | 99.7 (99.9) |
| Mean I/σ(I) | 5.2 (2.1) |
| Wilson B-factor (Å2) | 24.4 |
| R-merge | 0.174 (0.615) |
| R-pim | 0.096 (0.370) |
| CC1/2 | 0.978 (0.344) |
| CC* | 0.988 (0.511) |
| No. of reflections used in refinement | 13,233 |
| No. of reflections used for R-free | 644 |
| R-work | 0.2102 |
| R-free | 0.2647 |
| No. of nonhydrogen atoms | 1,963 |
| Macromolecules | 1,930 |
| Solvent | 32 |
| No. of protein residues | 239 |
| RMS (bonds) | 0.005 |
| RMS (angles) | 0.64 |
| Ramachandran favored (%) | 98.28 |
| Ramachandran allowed (%) | 1.72 |
| Ramachandra outliers (%) | 0.00 |
| Rotamer outliers (%) | 0.96 |
| Clashscore | 1.81 |
| Average B-factor (Å2) | 36.16 |
| Macromolecules (Å2) | 36.23 |
| Solvent (Å2) | 31.65 |
a
Values in brackets refer to the highest-resolution shell.