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  • Diffraction
    • Energy Dispersive Diffraction
    • GIXD: Grazing Incidence X-ray Diffraction
    • MX: Macromolecular Crystallography
    • PhD: Photoelectron Diffraction
    • Small Molecule Diffraction
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    • MAD
    • Microfocus
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    • SSX: Serial Synchrotron Crystallography
    • X-ray Powder Diffraction
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Macromolecular
Crystallography
Soft Condensed
Matter
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Microscopy
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Cryo-Imaging
Magnetic
Materials
Structures and
Surfaces
Crystallography
Spectroscopy
  1. Instruments
  2. Techniques
  3. Diffraction
  4. MAD

MAD

What is a Wedged MAD data collection?

Each circle on the figure below represents 180o sweep on the same crystal at three different energies. For example GDA will first collect sweep 1 (0 to 45o) at Energy 1, then sweep 2 (0 to 45o) at Energy 2, followed by sweep 3 (0 to 45o) at Energy 3 and so on...

Wedged MAD circle diagram


The advantage using wedged MAD collection compared to regular MAD data collection is that the same reflection at three (or more) different energies will be collected with equivalent dose. It will result in a better assesment of the anomalous signal less polluted by radiation damage.

​​​In GDA, go to "Data Collection" then click on the tab "Data Collection Table Input":

data_collection_table

Enter the Folder where you want to collect your data, Prefix and the specs for the data collection. For example for each energy we will collect 1800 images, 0.1o oscillation, 0.040s exposure and 100% transmission:

Data collection settings

Add experiments until you have one for each energy you want to collect for your MAD data. In this example we will do 3 energies.

multiple lines MAD

Change the wavelength or energy in the table to the desired value for each experiment:

Change Energy MAD

Then convert entry into wedged MAD as shown below:

Convert wedged MAD

In this example we choose to do wedge of 25o(250 images with 0.1o oscillation). Note that for wedged MAD data collection we recommend to use 5o  wedge or lower.

selection box

The data collection has been broken up into 25o wedges and reorganized so that each wedge is collected at 3 different energies before moving on to the next wedge. The prefix name has also been updated to indicate which energy is collected: E1, E2 or E3. To run it just click on the "Run All" button.

dat collection table wedged MAD

In this case the results will appear as 3 data sets: Lysoszyne_E1, Lysozyme_E2 and Lysozyme_E3.

Note that the wedged MAD experiment is not restricted to 3 energies.

Relevant Instrument(s)

VMXm

Commissioning

VMXm is a micro/nanofocus MX beamline aimed at atomic structure determination in cases where the production of significant quantities of protein material and crystals is problematic.

More information
Beamsize: 0.3x0.5 - 10x13 (variable size)
Detector: Pilatus3 6M (Si) and Eiger2 X 9M (CdTe)
Wavelength: 0.44 - 1.77 Å
Energy: 7.0 - 28.0 keV
Microfocus Macromolecular Crystallography XRF: X-ray Fluorescence X-ray Diffraction MAD: Multi Wavelength Anomalous Diffraction

I24 Microfocus MX

High throughput variable microfocus beamline for optimised MAD and SAD experiments on crystals down a few microns in size.

More information
Beamsize: 5x5 - 50x40 (variable aspect ratio)
Detector: Pilatus3 6M
Wavelength: 0.62Å - 1.77Å
Microfocus Spectroscopy In situ Multi-axis Goniometry Humidity Control Biocontainment Macromolecular Crystallography SSX: Serial Synchrotron X-ray Crystallography MAD: Multi Wavelength Anomalous Diffraction Remote Access X-ray Diffraction

I03 MX

High throughput and fully automated beamline for optimised MX experiments. Capable of accepting CL3 type experiments on crystals of pathogens.

More information
Beamsize: 90 µm x 20 µm
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV
In situ Multi-axis Goniometry Humidity Control Biocontainment Macromolecular Crystallography MAD: Multi Wavelength Anomalous Diffraction Remote Access X-ray Diffraction

VMXi

Operational in optimisation mode

The Versatile Macromolecular X-tallography in-situ (VMXi) beamline will be an entirely automated facility for characterisation of, and data collection directly from, crystallisation experiments in situ.

More information
Beamsize: 10 µm x 10 µm
Energy: 16 keV
Microfocus In situ Macromolecular Crystallography Imaging MAD: Multi Wavelength Anomalous Diffraction X-ray Diffraction

I23 Long-Wavelength MX

Operational in optimisation mode

A unique facility for solving the crystallographic phase problem, using the small anomalous signals from sulphur or phosphorous which are present in native protein or RNA/DNA crystals. Additionally, anomalous difference Fourier maps can be used to locate sulphur and phosphorous positions to assist model building at low resolution and/or identify lighter atoms such as chlorine, potassium and calcium.

More information
Wavelength: 1.1 – 5.9 Å
Energy: 2.1 – 11 keV
Multi-axis Goniometry Macromolecular Crystallography Long Wavelength MX MAD: Multi Wavelength Anomalous Diffraction X-ray Diffraction

I04 Microfocus MX

Variable focus from 5 to 100 microns, high throughput and highly automated beamline for optimised MAD and SAD experiments.

More information
Beamsize: 10 µm x 5 µm - 110 µm x 100 µm
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å
Microfocus Multi-axis Goniometry Humidity Control Macromolecular Crystallography MAD: Multi Wavelength Anomalous Diffraction Remote Access X-ray Diffraction
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