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Macromolecular Crystallography
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Macromolecular
Crystallography
Soft Condensed
Matter
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Microscopy
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Cryo-Imaging
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Crystallography
Spectroscopy

XChem

Apply Now

 

Fragment-based screening is now well-established as a powerful approach to early drug ("lead") discovery.

  1. Instruments
  2. MX
  3. Fragment Screening - XChem
  4. User Admin

User Admin

Once Your Proposal Has Been Accepted

Image
Above: An overview of the XChem Process

Your XChem Local Contact will arrange a video/telephone call with you to discuss your experiment (the science, crystallisation, diffraction etc.) and agree upon a time for your visit.  

If you want us to set up your crystals at Diamond we will do this as close to your visit as we can, so they are fresh and ready to use, this will be based on the information you give us in the Crystallistion Form (see below) and what we discuss with you in our call.

A week before the Training Week, we will create an LB visit for your experiment e.g LBxxxxx-1, transfer the ERA, register you as users, arrange access to the XChem Lab and book your accommodation (if required).

We will be on hand during the Training Week to train you, discuss your experiment and answer any questions you have.  

At the end of the Training Week we will discuss your solvent characterisation/Pre-Run data with you and arrange your second visit.

Below are the things that you must do prior to your visit(s), please ensure you have done these in a timely manner to ensure everything runs smoothly.

User Admin & Accommodation

  • Register in UAS if you are not already (it needs to be done once)
  • Submit an ERA and add investigators. See instructions here.  Investigators can be added once the visit is over should new members join your team who need to access the visit.
  • Complete the video training on the Diamond website.

User Accommodation:

  • You (and any investigators) must be registered in UAS before you can request accommodation.

For any questions related to the booking of your accommodation, please contact the user office (email: USEROFFICE@diamond.ac.uk)

Research Complex at Harwell (RCaH) Access

RCAH

Please note that for every visit to Diamond for XChem you will need to use the Formulatrix imagers in the RCaH and need to request access to the Complex.

For your FIRST Visit:

If it is your first time in the Research Complex you will need to get your card activated.  To do this please remember to bring:

  • your passport on the first day
  • induction forms which will be sent to you directly

RCaH User Office location: 1st floor of the Research Complex at Harwell

Open hours: Monday-Friday 9-12am, Monday-Thursdays 1-4pm Friday 1-3pm on a Friday.  It is probably easiest to call in on your way over to Diamond in the morning and get this out of the way.

For EVERY visit:

For every visit you must email the RCaH User Office with the following information (you can copy and paste the subject of the email):

  • Subject: RCaH Access for Formulatrix Imaging for XChem Experiment
  • CC in your XChem Local Contact
  • State the name(s) of the investigator(s) coming to site and their contact emails
  • When you will need access to RCaH, confirming start and end dates
  • Please state that you only need access to the Formulatrix imaging systems.

Using the Crystallisation Facility at the Complex:

If you have arranged with your XChem Local Contact to use the Crystallisation Facility at RCaH to set up plates on site then you need to request this specific type of access:

  • Subject: Crystallisation Facility Use at RCaH for XChem Experiment
  • CC in your XChem Local contact, as well as Halina Mikalojek, the Crystallisation Facility Manager (halina.mikalojek@diamond.ac.uk) and Claire Strain-Damerell, the Senior Research Technician (claire.strain-damerell@diamond.ac.uk)
  • State the name(s) of the investigator(s) coming to use the facility and their contact email(s)
  • When you will need access to RCaH, confirming start and end dates
  • Please state that you will need access to the Crystallisation Facility.

Crystallisation

You can either set-up crystal trays in your home lab and bring them with you or send the reagents for your XChem Local Contact to set up crystal trays at Diamond to be ready for your visit.

XChem Crystallisation Form:

If you have had a proposal accepted you will be sent a copy of the XChem Crystallisation Form to fill in to try and ensure that your crystal system is compatible, and so that we know where we can offer you help and advice to achieve this.  

Alternatively, if you are thinking of applying to use the XChem Facility you may wish to have a look at the form to get an idea of what you should be aiming to achieve with your crystal system

To download a copy of the form click here.

Travelling with crystals:

Check this far enough in advance so that we can do on-site crystallisation if your crystals don't travel well.  If you intend to bring crystals to site please ensure that they:

  • Will survive travelling
  • Diffract as stated after travelling

If you haven't travelled with your crystals before, we recommend that you set up a tray and simulate the travel conditions as soon as possible i.e. package them up as you would for travelling, leave them packaged up for the length of time you expect to be travelling for (with extra just in case you experience delays).  Move them around a bit. And most importantly check that your crystals still diffract as stated once you've simulated the travel conditions.

On-site Crystallisation:

This also needs to be done ahead of time to ensure the crystallistaion protocol in transferrable and we get the same results that you do in your home lab.  Send the necessary reagents (protein, buffers, seeds, additives) prepared so that they can be used straight away to set up crystal trays.  We can do some dilutions and add a reagent or two if necessary but, unfortunately, we don't have time to optimise crystallisation or do things like buffer exchanges etc - there will be plenty of opportunity to discuss anything you need with your Local Contact before your visit.

Shipping the crystalisation reagents:

  • Declare as "Polymer samples for scientific research and no commercial value".
  • Attribute to it a symbolic non-zero value, such as US$1 or £1 (for some countries, state the value of the empty trays).
  • Use at least 15kg of dry ice (yes, fifteen) and allow for customs delays.

If you are experiencing problems in acheiving a compatible crystal system we have collated some common issues on our Crystallisation Troubleshooting subpage as part of Tips, Tricks and Troubleshooting.

Selection of the fragment libraries

Ahead of the screen it is important that you check which compounds you would like to screen on your protein target and if you need to get in contact with academic groups. Information related to the libraries available on-site is here. Alternatively if you want to use your own compounds/library please look here.

Get to know the XChem pipeline

We have prepared some handouts and documentation on the XChem pipeline which can be downloaded from the Documentation page. It is worth having a browse at those documents prior to your visit as the pipeline contains a lot of steps.

There is also an overview of the schedule for the Training Week page and the various parts of the Lab pipeline on the XChem Lab page.

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