Table 1 Data collection and model refinement statistics.
| Â | Focused refinement of the half complex | Refinement of the dimeric complex |
|---|---|---|
Magnification | 60,386 | 60,386 |
Voltage (kV) | 300 | 300 |
Electron exposure (e−/Å2) | 50 | 50 |
Defocus range (µm) | 1.5–2.5 | 1.5–2.5 |
Pixel size (Ã…) | 0.828 | 0.828 |
Symmetry imposed | C1 | C2 |
Map resolution (Ã…) | 2.9 | 3.1 |
FSC threshold | 0.143 | 0.143 |
Initial model used (PDB code) | 3NVN | 3NVN |
Model resolution (Ã…) | 2.9 | 3.1 |
FSC threshold | 0.5 | 0.5 |
Map sharpening B factor (Å2) | −10 | −40 |
Model composition | Â | Â |
Non-hydrogen atoms | 8709 | 17,418 |
Protein residues | 1127 | 2254 |
Ligands | 9 | 18 |
B factors (Ã…2) | Â | Â |
Protein | 69 | 100.4 |
Ligand | 100 | 120.9 |
R.m.s. deviations | Â | Â |
Bond length (Ã…) | 0.01 | 0.012 |
Bond angle (°) | 0.79 | 0.85 |
Validation | Â | Â |
Molprobity score | 2.15 | 2.93 |
Clashscore | 12.2 | 15.0 |
Poor rotamers (%) | 0.11 | 8.0 |
Ramachandran plot | Â | Â |
Favored (%) | 89.8 | 89.5 |
Allowed (%) | 10.2 | 10.5 |
Outliers (%) | 0 | 0 |
