Table 1.
Two-side plane group | p4212 |
Unit cell dimension | a = b = 99.58 ± 0.50 Å, c = 100 Å |
IQ cut-off* of data | ≤ 7 |
Number of observed amplitudes | 48,037 |
Number of observed phases | 19,839 |
Number of structure factors | 2,947 |
Overall completeness† (100–3.7 Å) | 63% |
In-plane resolution | 3.7 Å |
Estimated resolution normal to the bilayer‡ | 6 Å |
Overall phase residual | 25.7° |
Electron diffraction | |
Resolution limit | 3.3 Å |
Maximum tilt | 57.5° |
Number of patterns | 44 |
RFriedel§ | 6.7–28.9% (15.8%) |
Rmerge¶ | 15.4–47.3% (27.5%) |
Image | |
Resolution limit | 3.7 Å |
Maximum tilt | 60.2° |
Number of images | 72 |
Phase residual‖ in resolution zones | (100–7.0 Å) 20.0° |
(7–4.0 Å) 39.7° | |
(4.0–3.7 Å) 55.7° | |
Overall | (100–3.7 Å) 25.7° |
Refinement statistics | |
Rfactor** | 35.0% |
Rfree** | 45.1% |
φfree‡‡ | 62.4° |
Nomenclature of Henderson et al. (43).
With figure of merit ≥ 0.27. Maximum completeness for data up to 60° tilt is 83%.
Based on calculation of point-spread function (44) for the experimental map.
RFriedel = ∑hk|Ihk − Ih̄k̄|/∑hk(Ihk + Ih̄k̄), average in parentheses.
Rmerge = ∑hk|Iobs − Ifit|/∑hkIfit, average in parentheses.
Weighting based on amplitudes.
Using electron diffraction amplitudes (≥ 2σ) between 24 and 3.7 Å.
Averaged difference between phases calculated from the model and the observed phases with figure of merit ≥ 0.50.