TABLE 1.
Crystallographic data for pSK41 apo-ParM
| Selenomethionine MAD data | |||
| Wavelength (λ) | 0.9797 | 1.0200 | 0.9796 |
| Resolution (Å) | 79.31-2.90 | 68.78-2.90 | 68.84-2.90 |
| Overall Rsym(%)a | 7.6 (14.6)b | 6.2 (14.5) | 7.6 (14.5) |
| Overall I/σ(I) | 10.9 (2.6) | 10.4 (2.3) | 10.4 (2.5) |
| Unique reflections | 10,875 | 10,879 | 10,890 |
| Multiplicity | 3.5 | 3.5 | 3.5 |
| Overall figure of meritc | 0.620 | ||
| Refinement statistics | |||
| Resolution (Å) | 74.53-1.95 | ||
| Overall Rsym (%)a | 6.2 (35.4) | ||
| Overall I/σ(I) | 20.4 (2.1) | ||
| Total reflections | 82,229 | ||
| Unique reflections | 24,845 | ||
| % Complete | 99.6 (99.6) | ||
| Rwork/Rfree (%)d | 19.5/24.6 | ||
| R.m.s. deviations | |||
| Bond angles (°) | 1.37 | ||
| Bond lengths (Å) | 0.009 | ||
| Ramachandran analysis | |||
| Most favored (%/#) | 88.9/240 | ||
| Additional allowed (%/No.) | 10.4/28 | ||
| Generously allowed (%/No.) | 0.7/2 | ||
| Disallowed (%/No.) | 0.0/0 | ||
a Rsym = ΣΣ|Ihkl − Ihkl(j)|/ΣIhkl, where Ihkl(j) is observed intensity and Ihkl is the final average value of intensity.
b Values in parentheses are for the highest resolution shell.
c Figure of merit = 〈|ΣP(α)eiα/ΣP(α)|〉, where α is the phase and P(α) is the phase probability distribution.
d Rwork = Σ‖Fobs| − |Fcalc‖/Σ|Fobs| and Rfree = Σ‖Fobs| − |Fcalc‖/Σ|Fobs|; where all reflections belong to a test set of 5% randomly selected data.