Data collection and refinement statistics
| Data collection | Refinement | |||
| Data set | Native | SeMet K Peak | ||
| x-ray source | ID14-2 (ESRF) | X12 (DESY) | ||
| Wavelength (Å) | 0.933 | 0.978 | Data range (Å) | 96.0–2.3 |
| Data range (Å) | 96–2.3 | 20–3.2 | Reflections F > 0 | 36,093 |
| Observations | 286,493 | 202,888 | Rwork | 0.254 |
| (unique) | (35,353) | (26,406) | (Rfree) | (0.287) |
| I/σI | 13.2 | 18.37 | RMS bond length (Å) | 0.030 |
| (last shell) | (4.88) | (6.85) | RMS bond angles (deg) | (2.170) |
| Completeness (%) | 98.1 | 98.5 | Ramachandran plot (%) | |
| (last shell) | (94.7) | (95.7) | (allowed) | 95.4 |
| (additionally allowed) | 4.4 | |||
| Rsym | 0.06 | 0.11 | ||
| (last shell) | (0.38) | (0.29) | ||
| RCullis | – | 0.823 | ||
| Phasing power | – | 1.024 | ||
| Figure of merit | – | 0.362 | ||
| Data collection | Refinement | |||
| Data set | Native | SeMet K Peak | ||
| x-ray source | ID14-2 (ESRF) | X12 (DESY) | ||
| Wavelength (Å) | 0.933 | 0.978 | Data range (Å) | 96.0–2.3 |
| Data range (Å) | 96–2.3 | 20–3.2 | Reflections F > 0 | 36,093 |
| Observations | 286,493 | 202,888 | Rwork | 0.254 |
| (unique) | (35,353) | (26,406) | (Rfree) | (0.287) |
| I/σI | 13.2 | 18.37 | RMS bond length (Å) | 0.030 |
| (last shell) | (4.88) | (6.85) | RMS bond angles (deg) | (2.170) |
| Completeness (%) | 98.1 | 98.5 | Ramachandran plot (%) | |
| (last shell) | (94.7) | (95.7) | (allowed) | 95.4 |
| (additionally allowed) | 4.4 | |||
| Rsym | 0.06 | 0.11 | ||
| (last shell) | (0.38) | (0.29) | ||
| RCullis | – | 0.823 | ||
| Phasing power | – | 1.024 | ||
| Figure of merit | – | 0.362 | ||
Cell symmetry: (P212121) cell constants (Å): a = 43.46, b = 120.99, c = 157.68. Rsym is the unweighted R-value on I between symmetry mates. Rwork = ∑hkl II Fobs(hkl)I − IFcalc (hkl) II/∑hkl I Fobs (hkl)I for reflections in the working data set. Rfree = cross validation R-factor for 5% of reflections against which model was not refined. RCullis = (phase-integrated lack of closure)/(|FPH − FP|). Phasing power =[ |FH(Calc)|/(phase-integrated lack of closure).