TABLE 1.
Data collection and refinement statistics for the yeast F1 ATPase
| Data collection | |
| Space group | P21 |
| Cell parameters (Å and °) | a = 111.9, b = 290.5, c = 188.7, β = 101.8 |
| Resolution | 3.6 Å |
| Number of reflections | 134821 |
| Rmergea,b | 0.094 (0.423) |
| 〈I/σ(I)〉 | 9.0 (1.6) |
| Completenessb (%) | 98.0 (98.0) |
| Mean multiplicityb | 2.8 (2.8) |
| Refinement statistics | |
| R-factorb (%) | 24.22 |
| Rfreeb,c (%) | 30.62 |
| r.m.s.d deviation from ideal | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 0.8 |
| Ramachandran plot | |
| Most favored | 85.7% |
| Allowed | 13.9% |
| Generously allowed | 0.4% |
| Disallowed | 0.0% |
a
Rmerge = ΣΣi|Ihi – 〈Ih〉|/ΣΣIhi where 〈Ih〉 is the weighted mean intensity for all observations of reflections h after rejection of outliers
b
The statistics for the highest resolution shell (3.67-3.60 Å) are given in the brackets
c
Rfree was calculated for 2703 reflections, which were excluded from the refinement
d
r.m.s., root mean square