Table 1.
Data collection statistics
| Native | SAD | |
|---|---|---|
| Data collection | ||
| Resolution (Å) | 99–1.98 (2.02–1.98) | 25–3.0 (3.09–3.0) |
| Space group | P41212 | P41212 |
| Unit cell parameters | a=b=62 Å; c=147.9 Å | a=b=61.9 Å; c=150 Å |
| Total number of reflections | 273269 | 231794 |
| Total number of unique reflections | 20818 | 11111 |
| Rsym (%)a | 5.8 (27.8) | 11.5 (37.8) |
| Completeness (%) | 98.3 (86.7) | 100 (100) |
| I/σ(I) | 18.9 (1.6) | 20.2 (5.1) |
| Redundancy | 13 | 21 |
| Phasing | ||
| Resolution (Å) | 80–3.0 | |
| FoM (after density modification) | 0.25 (0.55) | |
| Refinement | ||
| Resolution (Å) | 20–2.0 | |
| R/Rfree (%)b | 19.4/23.5 | |
| R.m.s.d. bonds (Å) | 0.005 | |
| R.m.s.d. angles (deg) | 1.07 | |
| Mean B factor (Å2) prot/water | 27/34 | |
| Ramachandran plot | ||
| Most favoured | 89% | |
| Allowed |
11% |
|
| Values in parentheses are for the highest resolution shell. | ||
| aRsym=∑h∑i∣Ihi−〈Ih〉∣/∑h∑iIhi, were Ihi is the ith observation of the reflection h, while 〈Ih〉 is the mean intensity of reflection h. | ||
| b Rfactor=∑∥∣Fo∣−∣Fc∥/∣Fo∣. Rfree was calculated with a small fraction (5%) of randomly selected reflections. | ||