| Electron microscope |
Titan Krios G3 |
| Camera |
Falcon 4 |
| Voltage (kV) |
300 |
| Nominal magnification |
75,000 |
| Calibrated pixel size (Å) |
1.03 |
| Total exposure (e/Å2) |
43.5 |
| Exposure rate (e/pixel/s) |
5.99 |
| Number of exposure fractions |
29 |
| Defocus range (μm) |
0.7–2 |
|
Image processing
|
| Motion correction software |
cryoSPARC v3
|
| CTF estimation software |
cryoSPARC v3
|
| Particle selection software |
cryoSPARC v3
|
| Micrographs used in inhibitor-free dataset |
4308 |
| Micrographs used in telacebec-bound dataset |
2793 |
| Particle images selected in inhibitor-free dataset |
1,037,709 |
| Particle images selected in telacebec-bound dataset |
387,777 |
| 3D map classification and refinement software |
cryoSPARC v3
|
|
B. Model statistics
|
|
| Dataset |
Inhibitor-free |
Telacebec-bound |
| Associated PDB ID |
|
|
| Modeling and refinement software |
Coot, phenix, ISOLDE
|
Coot, phenix, ISOLDE
|
| Protein residues |
6058 |
6075 |
| Ligand |
9 XX: 4, 9Y0: 6, 9YF: 8, FES: 2, HEC: 4, HEA: 4, MQ9: 10, HEM: 4, PLM: 4, CU: 8 |
9 XX: 4, 9Y0: 6, 9YF: 8, FES: 2, HEC: 4, HEA: 4, MQ9: 10, HEM: 4, PLM: 4, CU: 8, QTE: 1 |
| RMSD bond length (Å) |
0.005 |
0.004 |
| RMSD bond angle (°) |
0.712 |
0.818 |
| Ramachandran outliers (%) |
0.22 |
0.2 |
| Ramachandran favored (%) |
92.58 |
91.52 |
| Rotamer outliers (%) |
0 |
0 |
| Clash score |
19.29 |
15.47 |
| MolProbabity score |
2.25 |
2.20 |
| EMRinger score |
3.12 |
2.61 |
|
|
|
|
