Table 1. Summary of diffraction data and structure refinement statistics.
|
Diffraction data | |
| Wavelength (Å) | 0.9794 |
| Space group | P41212 |
| Cell parameters | |
| a, b, c (Å) | 48.12, 48.12, 223.38 |
| Resolution (Å) | 50.0-2.40 (2.49-2.40)a |
| Observed reflections | 67 134 |
| Unique reflections (I/σ(I) > 0) | 11 033 |
| Average redundancy | 6.2 (6.3) |
| Average I/σ(I) | 18.7 (4.6) |
| Completeness (%) | 99.7 (99.7) |
| Rmerge (%) | 7.6 (52.0) |
| Refinement and structure model | |
| Reflections (Fo≥0σ(Fo)) | |
| Working set | 10 503 |
| Test set | 528 |
| Rwork/Rfree (%) | 17.1/22.0 |
| No. of protein atoms | 1 939 |
| No. of solvent atoms | 58 |
| Average B factor (Å2) | |
| All atoms | 50.0 |
| Protein atoms | 50.1 |
| Solvent atoms | 47.2 |
| RMS deviation | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.09 |
| Ramachandran plot (%)b | |
| Most favored regions | 98.0 |
| Other allowed regions | 2.0 |
| Outliers | 0.0 |
aNumbers in parentheses represent the highest resolution shell.
bStatistics of the Ramachandran plot was analyzed using MolProbity.