Contrast: Module for Estimating the Contrast of Biomolecular Assemblies (v1.1 - 2016)
Project: PmScsC/B complex
Analysis of the dependence of I(0) upon fD2O
I(0) analysis not performed...
Contrast calculation parameters
In addition to water the solvent contains 2 other substance(s)
Molecule(H18.0C8.0N2.0O4.0S), Conc. = 0.010 mol/L, Volume of each formula unit to be calculated
Molecule(NaCl), Conc. = 0.150 mol/L, Volume of each formula unit to be calculated
Subunit (1) - possesses 1 component(s), with a deuteration level of 0% and 100% of the total exchangeable protons accessible by the solvent
Subunit (2) - possesses 1 components(s), with a deuteration level of 71% and 100% of the total exchangeable protons accessible by the solvent
Contrast calculation results
Volume (Å3) | ΣbX (10-13cm) | ΣbN (10-13cm) | ρX (1010cm-2) | ρN (1010cm-2) | Mass (kDa) | |
---|---|---|---|---|---|---|
Solvent | ||||||
55.17 | 30.0 | 28.18 | -1.68 | 9.403 | -0.560 | 0.018 |
0.01 | 291.8 | 360.70 | 30.61 | 12.361 | 1.049 | 0.238 |
0.15 | 29.3 | 78.90 | 13.21 | 26.938 | 4.509 | 0.058 |
Total | - | 1569.99 | -90.34 | 9.455 | -0.544 | - |
Subunit (1) - Number of hydrogen atoms = 5364.0, Number of exchangeable hydrogen atoms = 1194.0 | ||||||
3.00 | 90300.0 | 111751.06 | 15962.01 | 12.376 | 1.768 | 74.036 |
Total | 90300.0 | 111751.06 | 15962.01 | 12.376 | 1.768 | 74.036 |
Subunit (2) - Number of hydrogen atoms = 1987.0, Number of exchangeable hydrogen atoms = 436.0 | ||||||
1.00 | 36700.0 | 45411.11 | 18834.08 | 12.374 | 5.132 | 30.276 |
Total | 36700.0 | 45411.11 | 18834.08 | 12.374 | 5.132 | 31.384 |
The partial specific volume of the complex (fully proteated) is: 0.733 cm3g-1
The neutron scattering length density (1010cm-2) at any D2O fraction is:
The neutron contrast (1010cm-2) at any D2O fraction is:
ρ (1010cm-2) | Δρ (1010cm-2) | |||||
---|---|---|---|---|---|---|
1 | 2 | Solvent | 1 | 2 | Total | |
X-RAY | 12.376 | 12.374 | 9.455 | 2.921 | 2.919 | 2.920 |
NEUTRON | ||||||
0.0 | 1.768 | 5.132 | -0.544 | 2.312 | 5.676 | 3.284 |
0.1 | 1.905 | 5.256 | 0.148 | 1.758 | 5.108 | 2.726 |
0.2 | 2.043 | 5.379 | 0.840 | 1.203 | 4.540 | 2.168 |
0.3 | 2.181 | 5.503 | 1.531 | 0.649 | 3.972 | 1.609 |
0.4 | 2.318 | 5.627 | 2.223 | 0.095 | 3.403 | 1.051 |
0.5 | 2.456 | 5.750 | 2.915 | -0.459 | 2.835 | 0.493 |
0.6 | 2.594 | 5.874 | 3.607 | -1.013 | 2.267 | -0.065 |
0.7 | 2.731 | 5.998 | 4.299 | -1.567 | 1.699 | -0.623 |
0.8 | 2.869 | 6.121 | 4.990 | -2.121 | 1.131 | -1.182 |
0.9 | 3.007 | 6.245 | 5.682 | -2.676 | 0.563 | -1.740 |
1.0 | 3.144 | 6.369 | 6.374 | -3.230 | -0.005 | -2.298 |
Calculated match-point (fD2O) | 0.417 | 0.999 | 0.588 |
Other related quantities
The density (in g.cm-3 @ 20°C) of the solvent at any D2O fraction is:
The molecular mass (kDa) at any D2O fraction is: