Table 2 |.
Cryo-EM data collection, model refinement and validation statistics
| Apo mBcs1 (EMD-20808, PDB 6UKP) | ATPγS-bound mBcs1 (EMD-20811, PDB 6UKS) | |
|---|---|---|
|
| ||
| Data collection and processing | ||
| Magnification | ×14,000 | ×14,000 |
| Voltage (kV) | 300 | 300 |
| Electron exposure (e-/Å2) | 40 | 40 |
| Defocus range (μm) | −1.25 to −2.5 | −1.25 to −2.5 |
| Pixel size (Å) | 0.86 | 0.86 |
| Symmetry imposed | C7 | C7 |
| Initial particle images (no.) | 560,780 | 3,888,212 |
| Final particle images (no.) | 67,261 | 95,674 |
| Map resolution (Å) | 3.81 | 3.2 |
| FSC threshold | 0.143 | 0.143 |
| Map resolution range (Å) | 3.5–12 | 3.0–12 |
| Refinement | ||
| Initial model used (PDB code) | Bcs1-specific domain built de novo | AAA domain built de novo |
| Model resolution (Å) | 4.1 | 3.8 |
| FSC threshold | 0.5 | 0.5 |
| Map sharpening B factor (Å2) | −46.1 | −20.18 |
| Model composition | ||
| Nonhydrogen atoms | 41,132 | 40,929 |
| Protein residues | 2,569 | 2,534 |
| Ligands | - | 14 (7 ATPγS, 7 Mg2+) |
| B factors (Å2) | ||
| Protein | 107.76 | 82.94 |
| Ligand | - | 59.10 |
| r.m.s. deviations | ||
| Bond lengths (Å) | 0.006 | 0.007 |
| Bond angles (°) | 1.035 | 0.857 |
| Validation | ||
| MolProbity score | 1.62 | 1.45 |
| Clashscore | 2.72 | 1.88 |
| Poor rotamers (%) | 0 | 0 |
| Ramachandran plot | ||
| Favored (%) | 89.53 | 91.62 |
| Allowed (%) | 10.47 | 8.38 |
| Disallowed (%) | 0 | 0 |