Extended Data Table 3:
PANX1(N255A)Hemi (EMDB-21593) (PDB 6WBM) |
PANX1 (N255A)Gap (EMDB-21594) (PDB 6WBN) |
SMA–PANX1 (EMDB-21598) |
|
---|---|---|---|
Data collection and processing | |||
Magnification | 105,000 | 105,000 | 105,000 |
Voltage (kV) | 300 | 300 | 300 |
Electron exposure (e−/Å2) | 47.25 | 47.25 | 47.25 |
Defocus range (μm) | −1.2 – −1.8 | −1.2 – −1.8 | −1.2 – −1.8 |
Pixel size (Å) | 0.812 | 0.812 | 0.812 |
Symmetry imposed | C7 | C7 | C7 |
Initial particle images (no.) | 3,945,051 | 3,945,051 | 1,098,021 |
Final particle images (no.) | 407,341 | 78,983 | 125,025 |
Map resolution (Å) | 2.86 | 2.83 | 6.04 |
FSC threshold | 0.143 | 0.143 | 0.143 |
Map resolution range (Å) | 2.86 – 246.2 | 2.83 – 246.2 | 6.04 – 246.2 |
Refinement | |||
Initial model used (PDB code) | De novo | De novo | |
Model resolution (Å) | 3.10 | 3.12 | |
FSC threshold | 0.5 | 0.5 | |
Model resolution range (Å) | |||
Map sharpening B factor (Å2) | −119.822 | −70.501 | |
Model composition | |||
Non-hydrogen atoms | 19201 | 38402 | |
Protein residues | 2387 | 4774 | |
Ligands | 42 | 84 | |
R.m.s. deviations | |||
Bond lengths (Å) | 0.006 | 0.01 | |
Bond angles (°) | 0.71 | 1.15 | |
Validation | |||
MolProbity score | 2.03 | 1.88 | |
Clashscore | 13.68 | 11.23 | |
Poor rotamers (%) | 0.8 | 0.8 | |
Ramachandran plot | |||
Favored (%) | 94.40 | 95.51 | |
Allowed (%) | 5.60 | 4.49 | |
Disallowed (%) | 0.00 | 0.00 |