Table 1. Data collection and refinement statistics.
| Beamline | ID14.1 (ESRF) |
| Wavelength (Å) | 0.934 |
| Resolution (Å)a | 98.67–2.15(2.21–2.15) |
| Space group | C2 |
| Unit cell (Å,°) | a = 104.30b = 40.62c = 100.81β = 101.8 |
| Molecules/a.u. | 6 |
| Unique reflections | 21689 (1484) |
| Completeness (%) | 99.81 (88.9) |
| Rmeas b | 0.079 (0.469) |
| Rmerge c | 0.111 (0.432) |
| Multiplicity | 5.61 (5.62) |
| I/sig(I) | 17.96 (3.70) |
| Rwork d/Rfree e | 0.2294/0.2573 |
| R.m.s.d. bonds (Å) | 0.008 |
| R.m.s.d. angles (°) | 1.22 |
a
Values in parentheses are for the highest resolution shell.
b
c
where Ii is the intensity of an individual reflection and <I> is the mean intensity of same reflection.
d
Rwork = Σ |Fo-Fc|/Σ Fo.
e
Rfree is the cross-validation Rfactor computed for the test set of reflections (5%) which were omitted in the refinement process.