Table 1.
Data collection and refinement statistics for the Td CheA P3 domain.
| (PDB ID: 6Y1Y) | |
|---|---|
| Wavelength | 0.979100 |
| Resolution range | 75.36–1.50 (1.55–1.50) |
| Space group | C 1 2 1 |
| Unit cell | a, b, c: 101.64, 28.77, 82.90 α, β, γ: 90, 114.75, 90 |
| Total reflections | 53,542 |
| Unique reflections | 35,178 (3490) |
| Multiplicity | 6.9 (6.2) |
| Completeness (%) | 96.72 (99.31) |
| Mean I/sigma(I) | 14.7 (5.4) |
| R-merge | 0.063 (0.290) |
| R-meas | 0.075 (0.350) |
| R-pim | 0.040 (0.193) |
| CC1/2 | 0.99 (0.94) |
| Reflections for refinement | 33,864 (3361) |
| Reflections for R-free | 1308 (143) |
| R-work | 0.187 (0.205) |
| R-free | 0.211 (0.244) |
| No. non-H atoms | 2344 |
| Macromolecules | 2028 |
| Ligands | 0 |
| Solvent | 316 |
| Protein residues | 253 |
| RMS(bonds) | 0.006 |
| RMS(angles) | 0.93 |
| Ramachandran favored (%) | 100 |
| Ramachandran allowed (%) | 0.00 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 0.40 |
| Clashscore | 6.87 |
| Average B-factor | 19.1 |
| Macromolecules | 17.2 |
| Solvent | 28.2 |