Table 1.
Crystallographic data collection statistics.
| Data set | Native | Ta6Br122+(peak) |
|---|---|---|
| Wavelength (Å) | 1.0332 | 1.2548 |
| Space group | P622 | P622 |
| Cell dimensions | ||
| a, b, c (Å) | 469.7, 469.7, 457.1 | 472.4, 472.4, 463.0 |
| α, β, γ (°) | 90.0, 90.0, 120 | 90.0, 90.0, 120 |
| Resolution (Å)a | 4.00 (4.07-4.00) | 6.80 (6.92-6.80) |
| Rmerge | 0.216 (0.251) | 0.121 (0.507) |
| I/σ (I) | 4.5 (1.1) | 6.2 (1.0) |
| CC½b | (0.443) | (0.103) |
| Completeness (%) | 66.6 (5.3) | 86.3 (21.0) |
| Completeness >90%, to resolution (Å) | 5.40 | 8.00 |
| Redundancy | 9.2 (1.0) | 3.0 (1.3) |
| Number of images | 834 | 204 |
| Number of reflection | 1452299 | 135465 |
| Number of unique reflection | 162723 | 45212 |
a
Highest resolution shell is shown in parenthesis
b
Correlation coefficient between half-datasets