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12.20 The SAXSNanodiscsFast McXtrace Component
Release: McXtrace 1.0
A sample of monodisperse phospholipid bilayer nanodiscs in solution (water).
Identification
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Author: Martin Cramer Pedersen (mcpe@nbi.dk)
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Origin: KU-Science
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Date: May 2, 2012
Description
A component very similar to SAXSNanodiscs.comp - however, the scattering profile is only computed once, and linear interpolation is then used to simulate the instrument.
Example: SAXSNanodiscsFast( xwidth = 0.01, yheight = 0.01, zdepth = 0.01, SampleToDetectorDistance = 0.48, DetectorRadius = 0.1 )
Input parameters
Parameters in boldface are required; the others are optional.
|
Name |
Unit |
Description |
Default |
|
|
|||
|
AxisRatio |
|
Axis ratio of the bilayer patch. |
1.4 |
|
NumberOfLipids |
|
Number of lipids per nanodisc. |
130.0 |
|
AreaPerLipidHeadgroup |
Å\(^{2}\) |
Area per lipid headgroup - default is POPC. |
65.0 |
|
HeightOfMSP |
Å |
Height of the belt protein - default is MSP1D1. |
24.0 |
|
VolumeOfOneMSP |
Å\(^{3}\) |
Volume of one belt protein - default is MSP1D1. |
26296.5 |
|
VolumeOfHeadgroup |
Å\(^{3}\) |
Volume of one lipid headgroup - default is POPC. |
319.0 |
|
VolumeOfCH2Tail |
Å\(^{3}\) |
Volume of the CH2-chains of one lipid - default is POPC. |
818.8 |
|
VolumeOfCH3Tail |
Å\(^{3}\) |
Volume of the CH3-tails of one lipid - default is POPC. |
108.6 |
|
ScatteringLengthOfOneMSP |
cm |
Scattering length of one belt protein - default is MSP1D1. |
3.34E-9 |
|
ScatteringLengthOfHeadgroup |
cm |
Scattering length of one lipid headgroup - default is POPC. |
4.62E-11 |
|
ScatteringLengthOfCH2Tail |
cm |
Scattering length of the CH2-chains of one lipid - default is POPC. |
6.71E-11 |
|
ScatteringLengthOfCH3Tail |
cm |
Scattering length of the CH3-tails of one lipid - default is POPC. |
5.08E-12 |
|
Roughness |
|
Factor used to smear the interfaces of the nanodisc. |
3.5 |
|
Concentration |
mM |
Concentration of sample. |
0.01 |
|
AbsorptionCrosssection |
1/m |
Absorption cross section of the sample. |
0.0 |
|
xwidth |
m |
Dimension of component in the x-direction. |
|
|
yheight |
m |
Dimension of component in the y-direction. |
|
|
zdepth |
m |
Dimension of component in the z-direction. |
|
|
SampleToDetectorDistance |
m |
Distance from sample to detector (for focusing the scattered x-rays). |
|
|
DetectorRadius |
m |
Radius of the detector (for focusing the scattered x-rays). |
|
|
qMin |
Å\(^{-1}\) |
Lowest q-value, for which a point is generated in the scattering profile |
0.001 |
|
qMax |
Å\(^{-1}\) |
Highest q-value, for which a point is generated in the scattering profile |
1.0 |
|
NumberOfQBins |
|
Number of points generated in inital scattering profile. |
200 |
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Links
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Component source code found in file SAXSNanodiscsFast.comp.
