Table 1.
Crystal | ||
Space group | P41212 | |
Cell dimensions (Å) | a = b = 73.53 c = 205.88 α = β = γ = 90 |
|
Solvent content (%) | 62.4 | |
Data Processing | ||
Wavelength (Å) | 0.97 (Diamond I04) | |
Resolution (Å) | 51.50–1.85 | 1.95–1.85 |
Total reflections | 369318 | 54430 |
Unique reflections | 48719 | 7012 |
Multiplicity | 7.6 | 7.8 |
<I/σ(I)> | 16.5 | 3.7 |
Completeness (%) | 99.0 | 99.5 |
Rmerge | 9.1 | 37.4 |
Model Details | ||
# of atoms: | ||
Protein | 2779 | |
Water | 231 | |
Average B-factor (Å2) | 36.4 | |
Refinement Statistics | 12.00–1.85 | 1.90–1.85 |
Reflections (working/free) | 46006/2463 | 3286/173 |
Rfactor/Rfree (%) | 20.8/23.3 | 32.8/31.5 |
r.m.s. deviation from ideality bonds (Å)/Angles (°) | 0.028/2.19 | |
Ramachandran plot (%) | ||
Most favored | 95.6 | |
Additionally allowed | 4.4 | |
Outliers | 0.0 |