About McStas
Conditions of use
Authors/Contacts
Project funding
Download
Components
Other Downloads (share)
Documentation
Wiki (GitHub)
McStas manual
Publications
14.84 The SANSNanodiscsWithTagsFast McStas Component
A sample of monodisperse phospholipid bilayer nanodiscs in solution (water) - with histidine tag still on the belt proteins.
Identification
-
Author: Martin Cramer Pedersen (mcpe@nbi.dk)
-
Origin: KU-Science
-
Date: October 17, 2012
Description
A component very similar to EmptyNanodiscsWithTags.comp - however, the scattering profile is only computed once, and linear interpolation is the used to simulate the instrument.
Input parameters
Parameters in boldface are required; the others are optional.
|
Name |
Unit |
Description |
Default |
|
|
|||
|
NumberOfQBins |
|
Number of points generated in inital scattering profile. |
200 |
|
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 |
|
RadiusOfGyrationForHisTag |
Å |
Radius of gyration for the his-tag. |
12.7 |
|
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 |
|
VolumeOfOneHisTag |
Å\(^{3}\) |
Volume of one his-tag. |
2987.3 |
|
ScatteringLengthOfOneMSP |
cm |
Scattering length of one belt protein - default is MSP1D1. |
8.8E-10 |
|
ScatteringLengthOfHeadgroup |
cm |
Scattering length of one lipid headgroup - default is POPC. |
7.05E-12 |
|
ScatteringLengthOfCH2Tail |
cm |
Scattering length of the CH2-chains of one lipid - default is POPC. |
-1.76E-12 |
|
ScatteringLengthOfCH3Tail |
cm |
Scattering length of the CH3-tails of one lipid - default is POPC. |
-9.15E-13 |
|
ScatteringLengthOfOneHisTag |
cm |
Scattering length of one his-tag. |
1.10E-10 |
|
Roughness |
|
Factor used to smear the interfaces of the nanodisc. |
5.0 |
|
Concentration |
mM |
Concentration of sample. |
0.01 |
|
RhoSolvent |
cm/Å\(^{3}\) |
Scattering length density of solvent - default is D2O. |
6.4e-14 |
|
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 neutrons). |
|
|
DetectorRadius |
m |
Radius of the detector (for focusing the scattered neutrons). |
|
|
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 |
|
|
|||
|
|
|||
|
|
|||
Links
-
Component source code found in file SANSNanodiscsWithTagsFast.comp.
