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. 2014 Oct 31;9(10):e110912. doi: 10.1371/journal.pone.0110912

Table 2. Refinement statistics.

Tdgc c-di-GMP bound inactive dimer c-di-GMP bound active-like dimer c-di-GMP free R158A
Reflections used for refinement 13,625 27,172 43,743
Non-hydrogen atoms 2,980 2764 7531
Water 93 144 127
Rwork (%) 21.80 (19.50) 20.73 (20.79) 22.20 (23.21)
Rfree (%) 26.80 (27.13) 24.13 (21.09) 24.67 (25.43)
r.m.s.d. bond lengths (Å) 0.013 0.014 0.014
r.m.s.d. bond angles (°) 1.71 1.47 1.63
Mean B-factor (Å2)
Protein 38.8 25.2 53.3
Ligands:
C-di-GMP 45.6 10.2
Glycerol 47.5
MES 63.2 43.4
Water 38.9 31.1
Ramachandran Plot
Most favored (%) 98.42 98.69 95.72
Allowed(%) 1.58 1.31 4.17
Outliers (%) 0.99 0 0.11
PDB code 4URS 4URG 4URQ