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McXtrace - An X-ray ray-trace simulation package

Synchrotron SOLEIL Niels Bohr Institute DTU Physics

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McXtrace: SAXSNanodiscsWithTags

[ Identification | Description | Input parameters | Output parameters | Links ]

The SAXSNanodiscsWithTags Component

A sample of monodisperse phospholipid bilayer nanodiscs in solution (water) - with histidine tag still on the belt proteins.

Identification

  • Site:
  • Author: Martin Cramer Pedersen (mcpe@nbi.dk)
  • Origin: KU-Science
  • Date: May 2, 2012

Description

A component simulating the scattering from a box-shaped, thin solution (water)
of monodisperse phospholipid bilayer nanodiscs - with histidine tags still
on the belt proteins.

Input parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
AxisRatioAxis ratio of the bilayer patch.1.4
NumberOfLipidsNumber of lipids per nanodisc.130.0
AreaPerLipidHeadgroupAA^2Area per lipid headgroup - default is POPC.65.0
HeightOfMSPAAHeight of the belt protein - default is MSP1D1.24.0
RadiusOfGyrationForHisTagAARadius of gyration for the his-tag.10.0
VolumeOfOneMSPAA^3Volume of one belt protein - default is MSP1D1.26296.5
VolumeOfHeadgroupAA^3Volume of one lipid headgroup - default is POPC.319.0
VolumeOfCH2TailAA^3Volume of the CH2-chains of one lipid - default is POPC.818.8
VolumeOfCH3TailAA^3Volume of the CH3-tails of one lipid - default is POPC.108.6
VolumeOfOneHisTagAA^3Volume of one his-tag.2987.3
ScatteringLengthOfOneMSPcmScattering length of one belt protein - default is MSP1D1.3.34E-9
ScatteringLengthOfHeadgroupcmScattering length of one lipid headgroup - default is POPC.4.62E-11
ScatteringLengthOfCH2TailcmScattering length of the CH2-chains of one lipid - default is POPC.6.71E-11
ScatteringLengthOfCH3TailcmScattering length of the CH3-tails of one lipid - default is POPC.5.08E-12
ScatteringLengthOfOneHisTagcmScattering length of one his-tag.3.89E-10
RoughnessFactor used to smear the interfaces of the nanodisc.3.5
ConcentrationmMConcentration of sample.0.01
AbsorptionCrosssection1/mAbsorption cross section of the sample.0.0
xwidthmDimension of component in the x-direction.
yheightmDimension of component in the y-direction.
zdepthmDimension of component in the z-direction.
SampleToDetectorDistancemDistance from sample to detector (for focusing the scattered x-rays).
DetectorRadiusmRadius of the detector (for focusing the scattered x-rays).

Output parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
Absorption
q
NumberDensity
DeltaRhoHead
DeltaRhoBelt
DeltaRhoCH2Tail
DeltaRhoCH3Tail
DeltaRhoTag
MajorSemiAxis
MinorSemiAxis
ThicknessOfBelt
HeightOfBelt
HeightOfLipids
HeightOfTails
HeightOfCH3

Links


[ Identification | Description | Input parameters | Output parameters | Links ]

Generated on 2022-01-24 12:07:05


Last Modified: Monday, 24-Jan-2022 12:07:05 CET
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