Table 2 Cryo-EM data collection and data refinement data
From: Structural and mechanistic study of a novel inhibitor analogue of M. tuberculosis cytochrome bc1:aa3
Cytochrome bc/JNJ-2901 | |
|---|---|
Data collection | |
Microscope | Titan Krios |
Voltage (kV) | 300 |
Magnification | ×105,000 |
Detector—GIF | Gatan K3—Bioquantum |
Data collection software | EPU |
Electron exposure (e–/Å2) | 50 |
Defocus range (μm) | 0.8–2.5 |
Pixel size (Å) | 0.836 |
Data processing | |
Software | Relion 4 |
Number of micrographs | 4522 |
Final number of particles | 42,116 |
Symmetry imposed | C1 |
Map resolution (Å) | 3.1 |
FSC threshold | 0.143 |
Model refinement | |
Software | Phenix 1.18.2 |
Map correlation coefficient | 0.83 |
Model composition | |
Number of chains | 22 |
Non-hydrogen atoms | 43,307 |
Protein residues | 5206 |
Ligands | 59 |
Validation | |
R.M.S. deviations | |
Bond lengths (Å) | 0.004 |
Bond angles (°) | 0.814 |
Ramachandran plot | |
Favored (%) | 96.6 |
Allowed (%) | 3.4 |
Disallowed (%) | 0 |
Rotamer outliers (%) | 0 |
Data availability | |
EMDB entry | EMD-51689 |
PDB entry | 9GY6 |
