Created by CRYSOL ...................................... : ATSAS 3.2.1 (r14885) CRYSOL started ......................................... : 05-Feb-2024 17:39:05 Atomic coordinates read from ........................... : lrpa_alfa_38-474_A.pdb Model used ............................................. : all Chain(s) used .......................................... : all Account for explicit hydrogens ......................... : no Shell type ............................................. : directional Number of spherical harmonics .......................... : 20 Maximum scattering angle [A^-1] ........................ : 0.5000 Number of calculated data points ....................... : 501 Energy of incident radiation [eV] ...................... : undefined Solvent density [e/A^3] ................................ : 0.3340 Contrast of the solvation shell [e/A^3] ................ : 3.000E-02 Number of C atoms ...................................... : 2084 Number of N atoms ...................................... : 555 Number of O atoms ...................................... : 676 Number of S atoms ...................................... : 2 Number of unknown atoms ................................ : 0 Number of substituted unknown atoms .................... : 0 Total number of atoms read ............................. : 3317 Number of residues read ................................ : 437 Number of dummy residues read .......................... : 0 Number of dummy atoms read ............................. : 0 Discarded rotamers ..................................... : 0 Discarded explicit hydrogens ........................... : 0 Discarded waters ....................................... : 0 Discarded dummy solvents ............................... : 0 Molecular weight [Da] .................................. : 4.7000E+04 Excluded Volume [A^3] .................................. : 5.8837E+04 Partial specific Volume [ml/g] ......................... : 0.7539 Average electron density [e/A^3] ....................... : 0.4269 Geometric center ....................................... : 85.073 42.713 -117.085 Shell Rg [A] ........................................... : 35.13 Shell Volume [A^3] ..................................... : 2.2146E+04 Envelope Rg [A] ........................................ : 35.79 Envelope Volume [A^3] .................................. : 7.9818E+04 Envelope Diameter [A] .................................. : 143.8 Shape Rg [A] ........................................... : 34.91 Electron Rg [A] ........................................ : 34.93 Rg (Atoms - Excluded volume + Shell) [A] ............... : 34.99 Rg from the slope of net intensity [A] ................. : 34.07 CRYSOL finished ........................................ : 05-Feb-2024 17:39:14 Created by CRYSOL ...................................... : ATSAS 3.2.1 (r14885) Atomic coordinates read from ........................... : lrpa_alfa_38-474_A.pdb Account for explicit hydrogens ......................... : no Number of spherical harmonics .......................... : 20 Maximum alm angle [A^-1] ............................... : 0.5000 Number of calculated data points ....................... : 501 Energy of incident radiation [eV] ...................... : undefined Enabled constant for fit ............................... : no Experimental data read from ............................ : lrpa_sec_ph8.dat Number of experimental data points ..................... : 1142 Maximum alm angle of experimental data [A^-1] .......... : 0.3348 Solvent density [e/A^3] ................................ : 0.3340 Adjusted r0 ............................................ : 1.163 Adjusted contrast of the solvation shell [e/A^3] ....... : 8.349E-12 Scaling factor of calculated alm ....................... : 6.724E-05 Added constant to calculated alm ....................... : 0.0 Chi-square of fit ...................................... : 1.435 Probability of fit ..................................... : 0.0