Table 1. Crystal parameters and X-ray diffraction data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Space group | P3212 |
| Unit-cell parameters (Å) | a = b = 57.2, c = 107.9 |
| Resolution range (Å) | 47.58–2.50 (2.66–2.50) |
| No. of measurements | 21852 |
| No. of unique reflections | 11262 (1750) |
| Completeness (%) | 98.7 (97.5) |
| VM (Å3 Da−1) | 2.17 |
| Solvent content (%) | 43 |
| 〈I/σ(I)〉 | 38.3 (6.2) |
| Rmerge (%)† | 6.4 (18.4) |
| Average multiplicity | 10.3 (7.3) |
R
merge =
, where I
i(hkl) is the value of the ith measurement of the intensity of reflection hkl, 〈I(hkl)〉 is the average integrated intensity obtained from multiple measurements and the summation is over all observed reflections.