Table 1. Crystallographic data and MIRAS statistics.
Values in parentheses are for the highest resolution shell.
| Native (Fe) | NaI | CsCl | |
|---|---|---|---|
| Detector | DIP2030 | SMART 2K | DIP2030 |
| No. of frames | 194 [×2] | 182 | 101 |
| Frame width (°) | 0.5 | 0.25 | 0.5 |
| Exposure (min) | 35 | 10 | 35 |
| Net rotation (°) | 97 | 45.5 | 50.5 |
| Space group | I4122 | ||
| Unit-cell parameters | |||
| a (Å) | 121.73 | 121.81 | 121.85 |
| c (Å) | 144.21 | 143.56 | 143.94 |
| Resolution | 30–2.62 | 70–2.80 | 50–2.62 |
| No. of observations | 225798 | 44106 | 67008 |
| Unique observations | 16668 | 13419 | 16908 |
| Redundancy | 13.4 (6.8) | 3.3 (2.1) | 4.0 (3.6) |
| Completeness | 99.7 (98) | 98.3 (88) | 99.4 (92) |
| Rmerge | 13.2 (55) | 5.6 (21) | 8.7 (49) |
| I/σ(I) | 9.5 (3.6) | 27.7 (4.2) | 10 (2.8) |
| No. of sites | 1 | 14 | 5 |
| Phasing power | 1.0 | 0.93 | 0.77 |
| FOM | 0.38 (0.10) | ||
| FOM after DM | 0.67 (0.30) | ||