Extended Data Table 1.
CD4-gp120-CCR5 complex masked (EMDB -9108) (PDB 6MEO) |
CD4-gp120-CCR5 complex overall (EMDB -9109) (PDB 6MET) |
|
---|---|---|
Data collection and processing | ||
Magnification | 130000 | 130000 |
Voltage (kV) | 300 | 300 |
Electron exposure (e—/A2) | —46 | —46 |
Defocus range (pa) | 1-2.8 | 1-2.8 |
Pixel size (A) | 0.529 | 0.529 |
Symmetry imposed | Cl | Cl |
Initial particle images (no.) | 1,707,575 | 1,707,575 |
Final particle images (no.) | 307346 | 307346 |
Map resolution (A) | 3.9 | 4.5 |
FSC threshold | 0.143 | 0.143 |
Refinement | ||
Initial model used (PDB code) | 5UIW, 1WIO, 2QAD and 5VN3 |
5UIW, 1WIO, 2QAD and 5VN3 |
Map sharpening B factor (A2) | −190 | −190 |
Model composition | ||
Non-hydrogen atoms | 7462 | 8911 |
Protein residues | 887 | 1074 |
Ligands | 32 | 32 |
R.m.s. deviations | ||
Bond lengths (A) | 0.004 | 0.009 |
Bond angles (°) | 0.954 | 1.386 |
Validation | ||
MolProbity score | 1.60 | 1.97 |
Clashscore | 3.51 | 5.84 |
Poor rotamers (%) | 0.25 | 1.48 |
Ramachandran plot | ||
Favored (%) | 92.77 | 90.83 |
Allowed (%) | 7.23 | 8.51 |
Disallowed (%) | 0 | 0.66 |