Data Item _refine.solvent_model_param_ksol

General

Item name
_refine.solvent_model_param_ksol
Category name
refine
Attribute name
solvent_model_param_ksol
Required in PDB entries
no
Used in current PDB entries
Yes, in about 17.2 % of entries

Item Description

The value of the KSOL solvent-model parameter describing the ratio of the electron density in the bulk solvent to the electron density in the molecular solute. This is one of the two parameters (the other is _refine.solvent_model_param_bsol) in Tronrud's method of modelling the contribution of bulk solvent to the scattering. The standard scale factor is modified according to the expression k0 exp(-B0 * s2)[1-KSOL * exp(-BSOL * s2)] where k0 and B0 are the scale factors for the protein. Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.

Additional Descriptive Information for Depositors

               The value of the KSOL solvent-model parameter describing
               the ratio of the electron density in the bulk solvent to the
               electron density in the molecular solute.

               This is one of the two parameters (the other is
               _refine.solvent_model_param_bsol) in Tronrud's method of
               modelling the contribution of bulk solvent to the
               scattering. The standard scale factor is modified according
               to the expression

                   k0 exp(-B0 * s^2^)[1-KSOL * exp(-BSOL * s^2^)]

               where k0 and B0 are the scale factors for the protein.

               Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.

Data Type

Data type code
float
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
numb
Regular expression
-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?

Advisory Boundary Conditions

Minimum Value Maximum Value
0.1 1