Table 1.
X-ray crystallographic data and refinement statistics.
| MCR from M. shengliensis | |
|---|---|
| Data collection | |
| Wavelength (Å) | 0.97856 |
| Space group | P212121 |
| Resolution (Å) | 49.41–1.60 (1.69–1.60) |
| Cell dimensions: a, b, c (Å) | 132.62 148.18 235.41 |
| Rmerge (%) a | 9.1 (121.6) |
| Rpim (%) a | 5.1 (66.1) |
| CC1/2 a | 0.997 (0.356) |
| I/σI a | 8.3 (1.0) |
| Completeness a | 99.7 (99.3) |
| Redundancy a | 4.2 (4.3) |
| Number of unique reflections a | 602614 (87124) |
| Refinement | |
| Resolution (Å) | 48.36–1.60 |
| Number of reflections | 602,442 |
| Rwork/Rfree b (%) | 0.1725/0.1904 |
| Number of atoms | |
| Protein | 38,087 |
| Ligands/ions | 405 |
| Solvent | 4298 |
| Mean B-value (Å2) | 35.0 |
| Molprobity clash score, all atoms | 0.67 |
| Ramachandran plot | |
| Favored regions (%) | 97.71 |
| Outlier regions (%) | 0.16 |
| Rmsd c bond lengths (Å) | 0.007 |
| Rmsd c bond angles (°) | 0.95 |
| PDB ID code | 7NKG |
a Values relative to the highest resolution shell are within parentheses. b Rfree was calculated as the Rwork for 5% of the reflections that were not included in the refinement. Refined model contained hydrogens. c rmsd, root mean square deviation.