Data Item _exptl_crystal.density_percent_sol

General

Item name
_exptl_crystal.density_percent_sol
Category name
exptl_crystal
Attribute name
density_percent_sol
Required in PDB entries
no
Used in current PDB entries
Yes, in about 85.5 % of entries

Item Description

Density value P calculated from the crystal cell and contents, expressed as per cent solvent. P = 1 - (1.23 N MMass) / V N = the number of molecules in the unit cell MMass = the molecular mass of each molecule (gm/mole) V = the volume of the unit cell (A3) 1.23 = a conversion factor evaluated as: (0.74 cm3/g) (1024 A3/cm3) -------------------------------------- (6.02*1023) molecules/mole where 0.74 is an assumed value for the partial specific volume of the molecule

Additional Descriptive Information for Depositors

               Density value P calculated from the crystal cell and contents,
               expressed as per cent solvent.

               P = 1 - (1.23 N MMass) / V

               N     = the number of molecules in the unit cell
               MMass = the molecular mass of each molecule (gm/mole)
               V     = the volume of the unit cell (A^3^)
               1.23  = a conversion factor evaluated as:

                       (0.74 cm^3^/g) (10^24^ A^3^/cm^3^)
                       --------------------------------------
                            (6.02*10^23^) molecules/mole

                       where 0.74 is an assumed value for the partial specific
                       volume of the molecule

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]+)?

Allowed Boundary Conditions

Minimum Value Maximum Value
0.0

+∞

Advisory Boundary Conditions

Minimum Value Maximum Value
15 80
0 100