Table 1.
Data collection and phasing statistics
| SeMet | |||
|---|---|---|---|
| Data collection statistics | |||
| X-ray source | SPring-8 BL41XU | ||
| Wavelength (Å) | |||
| Peak | 0.97941 | ||
| Edge | 0.97914 | ||
| Remote | 0.96410 | ||
| Unit cell dimensions (Å,°) | a = 78.23, b = 90.16, c = 252.0, α = β = γ = 90 | ||
| Resolution (Å) | 50–2.71 (2.76–2.71) | 50–2.72 (2.77–2.72) | 50–2.67 (2.72–2.67) |
| Unique reflections | 48 596 (2406) | 47 508 (2025) | 40 354 (1747) |
| Redundancy | 9.6 (6.0) | 4.2 (2.3) | 3.8 (2.0) |
| Completeness (%) | 99.7 (99.2) | 95.5 (83.9) | 93.3 (67.5) |
| I/σ(I) | 23.3 (3.17) | 10.6 (1.32) | 8.17 (4.81) |
| Rsym | 0.127 (0.383) | 0.105 (0.384) | 0.112 (0.424) |
| Phasing statistics | |||
| No. of Se sites | 29 | ||
| Phasing power | |||
| Iso (cen./acen.) | 0.163/0.173 | – | 0.333/0.240 |
| Ano | 0.883 | 0.252 | 0.421 |
| Rcullis | |||
| Iso (cen./acen.) | 0.959/0.858 | – | 1.021/1.168 |
| Ano | 0.866 | 0.985 | 0.964 |
| Mean FOM | |||
| Cen./Acen. | 0.163/0.248 | ||
The numbers in parentheses are for the last shell.
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