PDB file name .......................................... : 1npf.pdb Data file name ......................................... : mb0_ult.dat Angular units multiplied by ............................ : 0.1000 Background constant adjustment Maximum s value ........................................ : 2.000 Number of points on theoretical grid ................... : 201 Maximum order of harmonics ............................. : 99 Electron density of the solvent, e/A**3 ................ : 0.3340 Square of total scattering length ...................... : 4.1232E+06 Average electron density ............................... : 0.4252 Center of excess density: 13.465 21.725 15.529 Structure was shifted to origin Geometrical center: 0.408 0.338 -0.161 Center of mass: 0.395 0.360 -0.139 Center of electron density: 0.399 0.371 -0.142 Molecular weight in Da ................................. : 1.7715E+04 Molecular radius ....................................... : 24.95 Molecular diameter ..................................... : 49.54 Hydrated particle volume ............................... : 3.0567E+04 Total number of water beads generated .................. : 727 Water beads on outer surface ........................... : 675 Water beads on inner surface ........................... : 1 Water beads in internal cavities ....................... : 51 Number of points to fit ................................ : 2219 Chi^2 value ............................................ : 5.377 Radius of Gyration ..................................... : 15.94 Effective contrast of hydration shell .................. : 9.240E-03