Table I.
Space group | P65 |
---|---|
Unit-cell parameters | 133.15, 133.15, 164.21 |
a, b, c (Å) | |
Resolution (Å) | 47.14–2.60 (2.74–2.60) |
Total number of refl. | 205,989 (27,568) |
Total of unique refl. | 50,396 (6968) |
Multiplicity | 4.1 (4.0) |
Rmerge1 | 0.128 (0.031) |
I/σ(I) | 4.6 (0.9) |
Overall completeness (%) | 99.1 (99.1) |
R/Rfree (%)b | 19.23/23.37 |
R.m.s.d. bonds (Å) | 0.007 |
R.m.s.d. angles (°) | 1.075 |
Ramachandran plot (%) | |
Most favored | 90.1 |
Allowed | 9.4 |
Rmerge = ΣhΣi|Ihi − <Ih>|/ΣhΣiIhi, where Ihi is the observation of the reflection h, and <Ih> is the mean intensity of reflection h.
Rfactor = Σ‖Fo| − |Fc‖/|Fo|. Rfree was calculated with a set of randomly selected reflections (5%).