Figure 3
From: Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase
Water molecule discrepancies between the sub-Ångstrom X-ray structure and the X-N structure. View of (a) HOH 511 (X-ray structure) and (b) DOD 1010 (X-N structure), which are equivalent. An electron density Fobs-Fcalc omit map at 2.4σ contour level in (a) and a nuclear 2Fobs-Fcalc map at 1.4σ contour level in (b) are superposed to the structure. For comparison, the H-bonding of HOH 511 in the X-ray structure is indicated as blue dashed lines in (b). Hydrogen atoms of the disordered part of Ile 312 in a) were not placed in the X-ray structure.