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. 2005 Jun 23;61(Pt 7):630–635. doi: 10.1107/S1744309105017690

Table 2. Summary of refinement statistics.

Resolution range (Å) 49.39–1.70
Data set used in refinement Native
No. of reflections (total/test) 35346/1773
Rcryst 0.169
Rfree 0.221
R.m.s.d. bonds (Å) 0.017
R.m.s.d. angles (°) 1.642
Average B factor (Å2) 21.98
No. of water molecules 357
No. of ions 1 Mg2+
Ramachandran plot, residues in  
 Most favorable region (%) 90.9
 Additional allowed region (%) 8.8
 Generously allowed region(%) 0.3
 Disallowed region (%) 0.0

R cryst = Inline graphic Inline graphic, where F obs and F calc are the observed and calculated structure-factor amplitudes, respectively.

R free was calculated as R cryst using 5.0% of the randomly selected unique reflections that were omitted from structure refinement.