Table 2:
Summary of X-ray data collection and model refinement statistics
| ExoN-nsp10 (7MC5) | ExoN-nsp10-Mg2+ (7MC6) | |
|---|---|---|
| Data collection | ||
| Wavelength (Å) | 0.979 | 0.979 |
| Resolution range (Å) | 57.7 – 1.64 (1.70 – 1.64) | 42.6 – 2.10 (2.18 – 2.10) |
| Space group | P212121 | P212121 |
| Unit cell (a,b,c in Å) | 63.74 67.48 111.25 | 61.67 70.32 108.54 |
| Total reflections | 258196 (22096) | 105896 (10815) |
| Unique reflections | 58702 (5273) | 27756 (2767) |
| Multiplicity | 4.4 (4.2) | 3.8 (3.9) |
| Completeness (%) | 98.81 (90.43) | 98.25 (99.43) |
| <I/σ(I)> | 12.57 (1.48) | 10.70 (1.96) |
| Rmerge | 0.148 (1.22) | 0.078 (0.928) |
| Rmeas | 0.166 (1.40) | 0.091 (1.082) |
| Rp.i.m. | 0.076 (0.660) | 0.045 (0.543) |
| CC1/2 | 0.995 (0.394) | 0.997 (0.524) |
| Refinement | ||
| Reflections, working set | 58626 (5273) | 27755 (2768) |
| Reflections, test set | 2826 (251) | 1364 (132) |
| Rwork | 0.166 (0.354) | 0.197 (0.306) |
| Rfree | 0.197 (0.371) | 0.219 (0.346) |
| No. of non-H atoms | 3890 | 3447 |
| Macromolecules | 3264 | 3221 |
| Ligands | 117 | 42 |
| Solvent | 509 | 184 |
| Protein residues | 417 | 415 |
| R.m.s. deviations | ||
| Bond length (Å) | 0.011 | 0.001 |
| Bond angles (°) | 1.10 | 0.41 |
| Ramachandran plot | ||
| Favored (%) | 96.85 | 96.84 |
| Allowed (%) | 2.91 | 2.92 |
| Outliers (%) | 0.24 | 0.24 |
| Average B factor (Å2) | 26.61 | 44.43 |
| Macromolecules | 24.60 | 44.11 |
| Ligands | 37.61 | 54.76 |
| Solvent | 36.94 | 47.72 |
Statistics for the highest-resolution shell are shown in parentheses.