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. Author manuscript; available in PMC: 2011 Oct 1.
Published in final edited form as: Curr Opin Struct Biol. 2010 Aug 31;20(5):587–597. doi: 10.1016/j.sbi.2010.08.001

Table 1.

Refinement statistics for the PDB deposit 3FJ0 before and after correction.

PDB code 3FJ0 Re-refined 3FJ0
R (%) 21.0 12.1
Rfree (%) 21.6 14.7
Rmsd bond length (Å) -* 0.016
Rmsd bond angles (°) 1.2 1.6
Number of non-H atoms 4121 4159
Number of water molecules 234 550
Clashscore 8.12 4.50
Clashscore percentile 48 80
Rotamer outliers (%) 1.66 0
MolProbity score 1.67 1.23
Molprobity score percentile 54 91
Ramachandran plot favored (%) 97.71 98.63
*

Not reported in the deposit