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 |