Table 1. Crystal and data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Crystal dimensions (mm) | 1.3 × 1.3 × 0.4 |
| Unit-cell parameters (Å) | a = b = 72.4, c = 583.3 |
| Space group | P41212 |
| Molecules per asymmetric unit | 1 |
| Resolution range (Å) | 20–2.6 (2.8–2.6) |
| Unique reflections | 53989 (8118) |
| Redundancy | 6.1 (3.52) |
| Completeness (%) | 98.6 (96.4) |
| 〈I/σ(I)〉† | 19.9 (3.3) |
| R merge ‡ (%) | 9.5 (29.3) |
| B § (Å2) | 50.2 |
| Mosaicity (°) | 0.55 |
| Twinning fraction (%) | 1.0 |
Average of the intensity divided by the standard deviation for all reflections.
, where I(hkl) is the intensity of reflection hkl,
is the sum over all reflections and
is the sum over i measurements of reflection hkl.
Overall Debye–Waller temperature factor.