Table 1 |.
Cryo-EM data collection, refinement and validation statistics
|
SpNatC with Bisubstrate and IP6 EMD-23110 PDB: 7L1K |
|
|---|---|
| Data collection and processing | |
| Magnification | 105,000 |
| Voltage (keV) | 300 |
| Electron exposure (e/Å2) | 42 |
| Defocus range (μm) | −1.0 to −3.0 |
| Pixel size (Å) | 0.84 |
| Symmetry imposed | C1 |
| Initial particles (no.) | 1,860,276 |
| Final particles (no.) | 607,131 |
| Map resolution (Å) | 3.16 |
| FSC threshold | 0.143 |
| Map resolution range (Å) | 2.5–3.5 |
| Refinement | |
| Initial model used (PDB code) | - |
| Model resolution (Å) | 3.4 |
| FSC threshold | 0.5 |
| Model resolution range (Å) | - |
| Map sharpening B factor (Å2) | 159.1 |
| Model composition | |
| Non-hydrogen atoms | 7216 |
| Protein residues | 883 |
| Ligands | 2 |
| B factors (Å2) | |
| Protein | 26.97/110.48/71.91 |
| Ligand | 86.46/102.51/93.10 |
| R.M.S. deviations | |
| Bonds lengths (Å) | 0.006 |
| Bond angles (°) | 1.036 |
| Validation | |
| MolProbity score | 1.76 |
| Clash score | 4.10 |
| Poor rotamers (%) | 0.38 |
| Ramachandran plot | |
| Favored (%) | 89.55 |
| Allowed (%) | 10.22 |
| Disallowed (%) | 0.23 |