Component Manual for the Xray-Tracing Package McXtrace, version 3.8.6

12.19  The SAXSNanodiscs McXtrace Component

A sample of monodisperse phospholipid bilayer nanodiscs in solution (water).

Identification

Description

A component simulating the scattering from a box-shaped, thin solution (water) of monodisperse phospholipid bilayer nanodiscs.

Example: SAXSNanodiscs( 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).

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