Table 1.
Data collection and refinement statistics
| Parameter | Value | |
|---|---|---|
| Data collection | ||
| Space group | P21212 | C2221 |
| Cell dimensions | ||
| a, b, c (Å) | 132.7, 116.0, 42.6 | 84.8, 97.3, 157.2 |
| α, β, γ (deg) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 20–1.75 (1.81–1.75) | 20–2.0 (2.08–2.03) |
| Rsym | 9.1 (63.0) | 10.9 (64.8) |
| I/σ(I) | 10.7 (2.5) | 9.0 (2.2) |
| Multiplicity | 3.9 (3.5) | 4.7 (4.1) |
| Completeness (%) | 97.9 (97.0) | 99.2 (94.9) |
| Refinement | ||
| Resolution (Å) | 20–1.75 (1.79–1.75) | 20–2.0 (2.08–2.03) |
| Reflections (n) | 65,882 (4,720) | 41,570 (2,888) |
| Rwork/Rfree | 18.1/22.1 (21.3/25.3) | 18.7/22.5 (22.5/25.8) |
| Atoms (n) | ||
| Protein | 5384 | 5117 |
| Phospholipid | 47 | 47 |
| Glycerol | 66 | 36 |
| Water | 598 | 222 |
| B factors (Å2) | ||
| Protein | 22.6 | 42.6 |
| Phospholipid | 28.1 | 36.7 |
| Glycerol | 48.7 | 52.1 |
| Water | 31.9 | 35.9 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.010 | 0.008 |
| Bond angles (deg) | 1.01 | 0.98 |
Values in parentheses are for the highest resolution shell. Rsym = Σhkl Σi |Ii(hkl) – 〈I(hkl)〉|/Σhkl Σi Ii(hkl), where Ii(hkl) is the intensity of an observation, and 〈I(hkl)〉 is the mean value of observations for a unique reflection. Rwork = Σh |Fo(h) – Fc(h)|/Σh |Fo(h), where Fo and Fc are the observed and calculated structure-factor amplitudes, respectively. Rfree was calculated with 5% of the data, which was excluded from the refinement. I/σ(I) = 〈〈I(hkl)〉/σ[〈I(hkl)〉]〉, where I〈(hkl)〉 is the weighted mean of all measurements for reflection hkl, and σ[〈I(hkl)〉] is the standard deviation of the weighted mean.