PDB file name .......................................... : 3v031.pdb Data file name ......................................... : bsa0_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 ...................... : 5.4929E+07 Average electron density ............................... : 0.4296 Center of excess density: 37.810 22.771 40.505 Structure was shifted to origin Geometrical center: 0.251 -0.020 0.237 Center of mass: 0.251 -0.016 0.209 Center of electron density: 0.267 -0.023 0.221 Molecular weight in Da ................................. : 6.2502E+04 Molecular radius ....................................... : 47.57 Molecular diameter ..................................... : 87.20 Hydrated particle volume ............................... : 1.0543E+05 Total number of water beads generated .................. : 2440 Water beads on outer surface ........................... : 1956 Water beads on inner surface ........................... : 113 Water beads in internal cavities ....................... : 371 Number of points to fit ................................ : 1878 Chi^2 value ............................................ : 7.441 Radius of Gyration ..................................... : 27.30 Effective contrast of hydration shell .................. : 2.904E-02