Table 1. Data-collection and phasing statistics.
Values in parentheses are for the last resolution shell.
| Lmaj006129AAH (truncation) | Lmaj006129AAA (full length) | |||
|---|---|---|---|---|
| Peak | Inflection | Remote | Native | |
| Wavelength | 0.9795 | 0.9797 | 0.9537 | 0.9746 |
| Resolution (Å) | 2.27 | 2.27 | 2.27 | 1.6 |
| Space group | C2221 | C2221 | C2221 | P21212 |
| Unit-cell parameters (Å) | a = 78.4, b = 122.9, c = 77.5 | a = 31.2, b = 64.6, c = 72.6 | ||
| Total reflections | 103179 | 103731 | 108733 | 55401 |
| Total unique reflections | 16790 | 16792 | 17115 | 19933 |
| Rsym | 0.084 (0.64) | 0.087 (0.73) | 0.095 (0.90) | 0.041 (0.69) |
| Completeness (%) | 100.0 (77.1) | 100 (77.3) | 100 (83.8) | 95.3 (94.6) |
| I/σ(I) | 10.0 (2.0) | 9.8 (1.9) | 9.1 (1.7) | 26.7 (1.8) |
| Redundancy | 6.2 (3.4) | 6.4 (3.4) | 6.4 (3.9) | 2.9 (2.8) |
| Phasing power† (dis; ano) | 0.57; 0.66 | 0.87; 0.46 | 0; 0.42 | |
| Figure of merit | 0.496 | |||
†
Phasing power = 
, where ΔF
H is either the dispersive or anomalous difference in scattering factor attributed to Se.