Table 1. Crystallographic statistics.
Data collection | |
Wavelength (Å) | 1.075 |
Space group | P43212 |
Cell dimensions (Å) | a=b=88.9, c=157.1 |
Resolution (Å)* | 40–3.3 (3.4–3.3) |
Redundancy* | 13.6 (14.4) |
Completeness (%)* | 99.5 (100) |
<I/σ>* | 30.1 (4.9) |
Rmerge*,† | 0.075 (0.637) |
Refinement | |
Unique reflections | 9,947 |
Number of atoms | 2,295 |
Rwork/Rfree‡ | 0.212/0.265 |
Averaged B-factors (Å2) | 52 |
R.m.s.d. | |
Bond lengths (Å) | 0.0073 |
Bond angles (°) | 1.235 |
R.m.s.d, root-mean-squared deviation
*Highest-resolution shell is shown in parentheses.
†Rmerge=∑|Ii−<I>|/∑Ii
‡Rwork=∑|Fo−Fc|/∑Fo. Rfree is the cross-validation R factor for the test set of reflections (10% of the total) omitted in model refinement.