Table 1.
Crystallographic data and refinement statistics
Values in parentheses are for the highest resolution shell.
| Data collection | |
| X-ray source | SPring-8 BL44XU |
| Wavelength (Å) | 0.90000 |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 44.55, b = 73.03, c = 94.56 |
| Resolution (Å) | 50.00–1.70 (1.73–1.70) |
| Completeness (%) | 92.2 (89.4) |
| Rmerge (%)a | 7.3 (76.6) |
| 〈I/σ(I)〉 | 31.7 (2.7) |
| Refinement | |
| Resolution (Å) | 39.69–1.70 |
| Rworkb/Rfreec (%) | 17.25/21.39 |
| Overall mean B-factor (2) | 17.36 |
| Ramachandran plot (%) | |
| Favored (%) | 97.57 |
| Allowed (%) | 2.43 |
| Outliers (%) | 0.0 |
| r.m.s.d., bonds (Å) | 0.006 |
| r.m.s.d., angles (°) | 0.794 |
a Rmerge(I) = Σ|I(k) − 〈I〉|/ΣI(k), where I(k) is the value of the kth measurement of the intensity of a reflection, 〈I〉 is the mean value of the intensity of that reflection, and the summation is the overall measurement.
b Rwork = Σ‖Fobs(hkl)| − |Fcalc(hkl)‖/Σ Fobs(hkl) .
c Rfree is the R factor computed for the test set of reflections that were omitted from the refinement process.