Table 1. Cryo-EM data collection, refinement, and validation statistics.
| PDB IDEMDB ID | NOX2-p22-7D5-TP11708GZ3EMD-34389EMD-34390*/EMD-34620†/EMD-34622‡/EMD-34621§ |
|---|---|
| Data collection and processing | |
| Magnification | ×165,000 |
| Voltage (kV) | 300 |
| Electron exposure (e-/Å2) | 37.6 |
| Defocus range (μm) | –1.5 to –2.0 |
| Pixel size (Å) | 0.821 |
| Symmetry imposed | C1 |
| Initial particle images (no.) | 541,609 |
| Final particle images (no.) | 84,035 |
| Map resolution (Å) | 2.81*/3.1†/3.1‡/2.75§ |
| FSC threshold | 0.143 |
| Map resolution range (Å) | 250–2.8 |
| Refinement | |
| Initial model used (PDB code) | Alpha Fold 2 |
| Model resolution (Å) | 2.8 |
| FSC threshold | 0.143 |
| Model resolution range (Å) | 250–2.8 |
| Map sharpening B factor (Å2) | –89.6*/–128.9†/–123.3‡/100.1§ |
| Model composition |
|
| Non-hydrogen atoms | 8,542 |
| Protein residues | 1,214 |
| Ligands | 9 |
| B factors (Å2) |
|
| Protein | 55.46 |
| Ligand | 58.94 |
| R.m.s. deviations |
|
| Bond lengths (Å) | 0.011 |
| Bond angles (°) | 1.531 |
| Validation |
|
| MolProbity score | 1.60 |
| Clashscore | 5.77 |
| Poor rotamers(%) | 1.74 |
| Ramachandran plot |
|
| Favored (%) | 97.49 |
| Allowed (%) | 2.42 |
| Disallowed (%) | 0.08 |
*
The values of consensus refinement.
†
The values of focused refinement of mask1 (CH1 + CL + TP1170).
‡
The values of focused refinement of mask2 (DH domain).
§
The values of focused refinement of mask3 (core).