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[ Identification | Description | Input parameters | Links ]
The SAXSNanodiscsWithTagsFast Component
Release: McXtrace 1.0
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: May 2, 2012
Description
A component very similar to SAXSNanodiscsWithTags.comp - however, the scattering profile is only computed once, and linear interpolation is then used to simulate the instrument. Example: SAXSNanodiscsWithTagsFast( 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 | AA^2 | Area per lipid headgroup - default is POPC. | 65.0 | |
| HeightOfMSP | AA | Height of the belt protein - default is MSP1D1. | 24.0 | |
| RadiusOfGyrationForHisTag | AA | Radius of gyration for the his-tag. | 12.7 | |
| VolumeOfOneMSP | AA^3 | Volume of one belt protein - default is MSP1D1. | 26296.5 | |
| VolumeOfHeadgroup | AA^3 | Volume of one lipid headgroup - default is POPC. | 319.0 | |
| VolumeOfCH2Tail | AA^3 | Volume of the CH2-chains of one lipid - default is POPC. | 818.8 | |
| VolumeOfCH3Tail | AA^3 | Volume of the CH3-tails of one lipid - default is POPC. | 108.6 | |
| VolumeOfOneHisTag | AA^3 | Volume of one his-tag. | 2987.3 | |
| 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 | |
| ScatteringLengthOfOneHisTag | cm | Scattering length of one histidine tag. | 3.89E-10 | |
| 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 | AA^-1 | Lowest q-value, for which a point is generated in the scattering profile | 0.001 | |
| qMax | AA^-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 |
| AT ( | , | , | ) RELATIVE | |||
|---|---|---|---|---|---|---|
| ROTATED ( | , | , | ) RELATIVE |
Links
- Source code for
SAXSNanodiscsWithTagsFast.comp.
[ Identification | Description | Examples | Input parameters | Links ]
Generated on mcxtrace 3.10.2
