Table 1. Data-collection and refinement statistics for FtFBPaseII (PDB entry 7js3).
The data-reduction and refinement variables have their standard definitions. Values in parentheses are the highest resolution shell.
| Wavelength (Å) | 0.97856 |
| Resolution (Å) | 40.0–2.40 (2.44–2.40) |
| Space group | P21 |
| a, b, c (Å) | 76.30, 100.17, 92.02 |
| α, β, γ (°) | 90, 90.003, 90 |
| Total reflections | 196190 |
| Unique reflections | 53682 (2620) |
| Multiplicity | 3.6 (3.7) |
| Completeness (%) | 98.9 (97.5) |
| Mean I/σ(I) | 24.6 (3.2) |
| Wilson B factor (Å2) | 42.9 |
| R meas | 0.106 (0.531) |
| CC1/2 | 0.991 (0.673) |
| R p.i.m. | 0.055 (0.276) |
| Twinning fraction | 0.432 |
| Twinning operator | h, −k, −l |
| Reflections used in refinement | 53626 (2502) |
| Reflections used for R free | 2732 (119) |
| R work | 0.154 (0.185) |
| R free | 0.193 (0.292) |
| No. of non-H atoms | |
| Total | 9734 |
| Macromolecules | 9434 |
| Ligands | 4 |
| Solvent | 269 |
| No. of protein residues | 1268 |
| R.m.s.d. from ideal | |
| Bond lengths (Å) | 0.010 |
| Angles (°) | 1.24 |
| Ramachandran plot | |
| Favored (%) | 92.0 |
| Allowed (%) | 7.6 |
| Outliers (%) | 0.6 |
| Clashscore | 15 |
| Average B factor (Å2) | |
| Overall | 52.6 |
| Macromolecule | 52.7 |
| Ligands | 71.9 |
| Solvent | 44.9 |