Table 1 Cryo-EM data collection, refinement and validation statistics
CtMrs2 closed (EMD-18256) (PDB 8Q8P) | CtMrs2 open (EMD-18257) (PDB 8Q8Q) | |
|---|---|---|
Data collection and processing | ||
Magnification | 105,000 | 105,000 |
Voltage (kV) | 300 | 300 |
Electron exposure (e− per Å2) | 50 | 49.958 |
Defocus range (μm) | −0.6 to −2.2 | −0.6 to −2.0 |
Pixel size (Å) | 0.8617 | 0.8566 |
Symmetry imposed | C5 | C5 |
Initial particle images (no.) | 663,423 | 332,383 |
Final particle images (no.) | 222,578 | 116,609 |
Map resolution (Å) | 2.7 | 3.2 |
FSC threshold | 0.143 | 0.143 |
Map resolution range (Å) | 2.57–6.56 | 3.21–7.99 |
Refinement | ||
Initial model used (PDB code) | AlphaFold model | |
(AF-G0S186-F1) | ||
Model resolution (Å) | 2.9 | 3.4 |
FSC threshold | 0.5 | 0.5 |
Model resolution range (Å) | - | - |
Map sharpening B factor (Å2) | −109 | −120 |
Model composition | ||
Nonhydrogen atoms | 12,579 | 12,718 |
Protein residues | 1,585 | 1,575 |
Ligands | MG: 24 | LOP: 5; MG: 3 |
B factors (Å2) | ||
Protein | 46.95 | 57.57 |
Ligand | 41.09 | 42.36 |
R.m.s.d. | ||
Bond lengths (Å) | 0.002 | 0.003 |
Bond angles (°) | 0.380 | 0.497 |
Validation | ||
MolProbity score | 1.11 | 1.28 |
Clashscore | 3.15 | 2.94 |
Poor rotamers (%) | 0 | 0 |
Ramachandran plot | ||
Favored (%) | 98.73 | 96.78 |
Allowed (%) | 1.27 | 3.22 |
Disallowed (%) | 0.00 | 0.00 |
