Table 1. Cryo-EM data collection and refinement statistics.
Inward-facing conformation of the MetNI methionine ABC transporter | Outward-facing conformation of the MetNI methionine ABC transporter in complex with lipo-MetQ | |
---|---|---|
PDB | 7MC0 | 7MBZ |
EMD | EMD-23752 | EMD-23751 |
Data collection conditions | ||
Microscope | Titan Krios | Titan Krios |
Camera | Gatan K3 Summit | Gatan K3 Summit |
Magnification | 105,000x | 105,000x |
Voltage (kV) | 300 | 300 |
Recording mode | counting | counting |
Frames/Movies | 40 | 40 |
Total Electron dose (e-/Å2) | 60 | 60 |
Defocus range (µm) | 1.0 – 2.8 | 1.0 – 2.8 |
Pixel size (Å) | 0.856 | 0.856 |
Micrographs collected | 4709 | 6183 |
Micrographs used | 3968 | 5494 |
Total extracted particles | 1,684,719 | 2,874,862 |
Refined particles | 322,171 | 58,434 |
Symmetry imposed | C1 | C1 |
Nominal Map Resolution (Å) | ||
FSC 0.143 (unmasked/masked) | 3.4/3.3 | 6.4/6.4 |
Refinement and Validation | ||
Initial model used | 3TUJ | |
Number of atoms | ||
Protein | 7092 | 8987 |
Ligand | 0 | 0 |
MapCC (mask/box) | 0.80/0.65 | 0.75/0.69 |
Map sharpening B-factor | 91.3 | 496 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.012 | 0.012 |
Bond angles (º) | 1.62 | 1.92 |
MolProbity score | 1.76 | 1.73 |
Clashscore (all atom) | 7.56 | 6.77 |
Rotamer outliers (%) | 1.19 | 1.04 |
Ramachandran plot | ||
Favored (%) | 95.77 | 95.09 |
Allowed (%) | 3.90 | 4.91 |
Outliers (%) | 0.33 | 0 |