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. 2023 Jan 23;6(1):52–67. doi: 10.1038/s41929-022-00904-1

Table 3.

Refinement statistics

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