Table 1.
Mtb WhiB7-RPo (W-RPo) PDB ID 7KIF | Mtb WhiB7-RPc (W-RPc) PDB ID 7KIM | Mtb RPo PDB ID 7KIN | |
---|---|---|---|
Data collection and processing | |||
Magnification | 105,000 | 105,000 | |
Voltage (kV) | 300 | 300 | |
Electron exposure (e−/Å2) | 66 | 64 | |
Defocus range (μm) | 1–2.1 | 0.8–2.2 | |
Pixel size (Å) | 1.1 | 1.1 | |
Symmetry imposed | C1 | C1 | |
Initial particle images (no.) | 4,349,833 | 2,362,200 | |
Final particle images (no.) | 87,743 | 32,172 | 296,097 |
Map resolution (Å) FSC threshold 0.143 | 2.94 | 3.38 | 2.74 |
Map resolution range (Å) | 2.8–7 | 3.3–7.5 | 2.8–6.6 |
Refinement | |||
Initial model used (PDB code) | 6EDT | 6EDT | 6EDT |
Model resolution range (Å) | 2.8–7 | 3.3–7.5 | 2.8–6.6 |
Map sharpening B factor (A2) | 70.5 | 52.8 | 89.9 |
Model composition | |||
Non-hydrogen atoms | 30,322 | 29,573 | 29,379 |
Protein residues | 3592 | 3572 | 3509 |
Nucleic acid residues | 118 | 90 | 103 |
Ligands | 4 (SF4, 1 Mg2+, 2 Zn2+) | 4 (SF4, 1 Mg2+, 2 Zn2+) | 3 (Mg2+, 2 Zn2+) |
B factors (A2) | |||
Protein | 104.46 | 167.51 | 100.97 |
Nucleic acid | 221.97 | 265.08 | 191.21 |
Ligands | 120.37 | 170.20 | 92.75 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.009 | 0.008 | 0.016 |
Bond angles (°) | 0.865 | 0.873 | 1.047 |
Validation | |||
MolProbity score | 2.3 | 2.53 | 2.2 |
Clashscore | 4.33 | 7.46 | 3.35 |
Poor rotamers (%) | 6.85 | 7.44 | 7.82 |
Ramachandran plota | |||
Most favored (%) | 84.2 | 82.8 | 87.1 |
Additional allowed (%) | 15.4 | 17 | 12.5 |
Generously allowed (%) | 0.3 | 0.2 | 0.3 |
Disallowed (%) | 0 | 0 | 0 |
Ramachandran plot parameters from PROCHECK