Table 3 Refinement statistics
From: Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin
Model | EcGyr–Mu217–albicidin | EcGyr–Mu217–Albi-1-TG | EcGyr–Mu217–Albi-1-AA | EcGyr–Mu217–Albi-2 |
|---|---|---|---|---|
Model resolution (Å) | 3.06 (3.47) | 3.25 (3.77) | 3.31 (0.143) | 3.24 (3.69) |
FSC threshold | 0.143 (0.5) | 3.93 (0.5) | 0.143 (0.5) | |
Map sharpening B factor (Å2) | 37.2 | 65.1 | 56.4 | 68.1 |
Model composition | ||||
Non-hydrogen atoms | 15,966 | 15,966 | 15,966 | 15,972 |
Protein residues | 1,838 | 1,838 | 1,838 | 1,838 |
Nucleotides | 64 | 64 | 64 | 64 |
Ligands | 3 | 3 | 3 | 3 |
B factors (Å2) | ||||
Protein | 55.4 | 74.3 | 100.7 | 40.6 |
Nucleotide | 73.9 | 96.8 | 118.2 | 63.1 |
Ligands | 45.5 | 48.8 | 61.3 | 29.9 |
R.M.S. deviations | ||||
Bond lengths (Å) | 0.003 | 0.003 | 0.003 | 0.003 |
Bond angles (°) | 0.577 | 0.568 | 0.601 | 0.559 |
Validation | ||||
MolProbity score | 1.31 | 1.28 | 1.33 | 1.24 |
Clashscore | 1.59 | 1.79 | 1.79 | 1.56 |
Ramachandran plot | ||||
Favoured (%) | 93.97 | 95.07 | 94.13 | 95.18 |
Allowed (%) | 6.03 | 4.93 | 5.87 | 4.82 |
Disallowed (%) | 0.00 | 0.00 | 0.00 | 0.00 |
