Table 1. Diffraction data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| X-ray source | Beamline 5.0.1, ALS |
| Space group | P212121 |
| No. of molecules per asymmetric unit | 2 |
| a, b, c (Å) | 84.43, 97.43. 132.99 |
| Resolution (Å) | 50.0–2.12 (2.16–2.12) |
| Reflections, total | 414342 |
| Reflections, unique | 63090 |
| R merge † (%) | 8.9 (65.6) |
| 〈I/σ(I)〉 | 22.05 (2.0) |
| Completeness (%) | 100 (99.9) |
| Multiplicity | 6.6 |
| CC* | 0.997 (0.962) |
| CC1/2 | 0.989 (0.862) |
| Wavelength (Å) | 0.9774 |
| V M (Å3 Da−1) | 2.32 |
†
R
merge =
, where I
i
(hkl) is the observed intensity of an individual reflection and Ii
(hkl) is the mean intensity of that reflection.