Contrast: Module for Estimating the Contrast of Biomolecular Assemblies (v1.1.1 - 2017)
Project: NADase Streptolysin 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 5 other substance(s)
Subunit (1) - possesses 1 component(s), with a deuteration level of 88% and 100% of the total exchangeable protons accessible by the solvent
Subunit (2) - possesses 1 components(s), with a deuteration level of 0% 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 | ||||||
55.24 | 30.0 | 28.18 | -1.68 | 9.403 | -0.560 | 0.018 |
0.14 | 29.3 | 78.90 | 13.21 | 26.938 | 4.509 | 0.058 |
0.00 | 35.9 | 101.45 | 13.25 | 28.297 | 3.695 | 0.075 |
0.01 | 53.9 | 197.26 | 31.86 | 36.569 | 5.907 | 0.142 |
0.00 | 61.2 | 191.62 | 24.53 | 31.310 | 4.008 | 0.136 |
0.00 | 187.7 | 231.07 | 6.47 | 12.311 | 0.345 | 0.154 |
Total | - | 1570.40 | -90.54 | 9.457 | -0.545 | - |
Subunit (1) - Number of hydrogen atoms = 3381.0, Number of exchangeable hydrogen atoms = 809.0 | ||||||
1.00 | 58708.8 | 72846.58 | 34494.41 | 12.408 | 5.876 | 48.376 |
Total | 58708.8 | 72846.58 | 34494.41 | 12.408 | 5.876 | 50.651 |
Subunit (2) - Number of hydrogen atoms = 4365.0, Number of exchangeable hydrogen atoms = 1050.0 | ||||||
1.00 | 76066.7 | 94572.90 | 14342.18 | 12.433 | 1.885 | 62.828 |
Total | 76066.7 | 94572.90 | 14342.18 | 12.433 | 1.885 | 62.828 |
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 | 12.408 | 12.433 | 9.457 | 2.951 | 2.976 | 2.965 |
NEUTRON | ||||||
0.0 | 5.876 | 1.885 | -0.545 | 6.421 | 2.431 | 4.169 |
0.1 | 6.019 | 2.029 | 0.148 | 5.871 | 1.882 | 3.620 |
0.2 | 6.162 | 2.173 | 0.840 | 5.322 | 1.333 | 3.070 |
0.3 | 6.306 | 2.317 | 1.533 | 4.773 | 0.784 | 2.521 |
0.4 | 6.449 | 2.460 | 2.226 | 4.223 | 0.234 | 1.972 |
0.5 | 6.593 | 2.604 | 2.919 | 3.674 | -0.315 | 1.423 |
0.6 | 6.736 | 2.748 | 3.612 | 3.125 | -0.864 | 0.874 |
0.7 | 6.880 | 2.892 | 4.304 | 2.575 | -1.413 | 0.325 |
0.8 | 7.023 | 3.035 | 4.997 | 2.026 | -1.962 | -0.225 |
0.9 | 7.167 | 3.179 | 5.690 | 1.477 | -2.511 | -0.774 |
1.0 | 7.310 | 3.323 | 6.383 | 0.928 | -3.060 | -1.323 |
Calculated match-point (fD2O) | 1.169 | 0.443 | 0.759 |
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:
The partial specific volume (cm3g-1, fully proteated) is:
The X-ray scattering length per unit mass (1010cm.g-1) is: