Table 1.
Crystallographic Data and Refinement Statistics
| crystallographic data | |
| space group | C2 |
| cell dimensions | a = 146.3 Å, b = 60.5 Å, c = 115.0 Å, β = 124.2° |
| resolution range (Å) | 50.00–2.30 |
| no. of total observations | 109379 |
| no. of unique observations | 31719 |
| completeness (%) | 85.0 (47.6)a |
| Rmerge (%)b | 3.4 (19.5)a |
| 〈I/σ(I)〉 | 15.9 |
| refinement statistics | |
| resolution (Å) | 50.00–2.30 |
| Rwork/Rfree (%)c | 19.8/25.4 |
| root-mean-square deviation | |
| bond lengths (Å) | 0.017 |
| bond angles (deg) | 1.706 |
| mean B value (Å2) | 56.5 |
a
Values in parentheses are for the highest-resolution shell.
b
Rmerge = ∑h∑i|I(h)i − 〈I(h)〉|/∑h∑iI(h)i.
c
Rwork/Rfree = ∑||Fo| − |Fc||/∑ |Fo|, where Rwork and Rfree are calculated by using the working and free reflection sets, respectively. Rfree reflections (5% of the total) were held aside throughout the refinement.