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. 2020 Nov 24;76(Pt 12):1233–1243. doi: 10.1107/S2059798320014151

Table 3. Structure solution and refinement.

Values in parentheses are for the outer shell.

  Chom-18Br Chom-18 Hpar-18
No. of reflections, working set 2259 1790 1629
No. of reflections, test set 108 95 94
Final R work 0.239 0.242 0.264
Final R free 0.292 0.279 0.312
Final R all 0.239 0.250 0.272
No. of non-H atoms
 DNA 365 365 365
 Ion 2 3 2
 Total 367 368 367
R.m.s. deviations
 Bonds (Å) 0.010 0.011 0.010
 Angles (°) 1.21 1.09 1.02
Average B factors (Å2) 120 108 122
NtC analysis
 Assigned 15 15 14
 Outliers 2 2 3
PDB code 6ror 6ros 6rou