Data Item _exptl_crystal.density_percent_sol
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General 
- Item name
- _exptl_crystal.density_percent_sol
- Category name
- exptl_crystal
- Attribute name
- density_percent_sol
- Required in PDB entries
- Used in current PDB entries
- Yes, in about 83.3 % of entries
Item Description
Density value P calculated from crystal cell and contents,
expressed as percent 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 = the evaluated conversion factor:
(0.74 cm3/gm3) (1024 A3/cm3)
--------------------------------------
(6.02*1023) moles/molecule
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 crystal cell and
contents, expressed as percent 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 = the evaluated conversion
factor: (0.74 cm^3^/gm^3^) (10^24^ A^3^/cm^3^)
-------------------------------------- (6.02*10^23^)
moles/molecule where 0.74 is an assumed value
for the partial specific volume of the molecule
Additional Item Example for Depositors
63.7000
Data Type 
- Data type code
- float
- Data type detail
- int 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 | +∞ |