Visit Overviews (inc. Training Week)

Before you attend the Training Week and perform your full Screen you will need to:

• Request access to the RCaH for use of the Formulatrix imagers
• Arrange accommodation with the Diamond User Office (if required)
• Familiarise all the attending investigator(s) with the XChem Pipeline - it's usually better if the same two people attend for both visits.

The first time you use the XChem Facility at Diamond will be to attend the XChem Training Week held on-site.  In addition to using and familiarising yourself with the XChem Lab and data analysis you will conduct a Solvent Charactisation test on ~40 crystals to determine their DMSO tolerance and, dependent on the results of this, perform a Pre-Screen soak of 100-200 fragments from the DSIPoised Library, you can also bring your own library to soak.

There is a brief overview of the XChem Training Week below.

You can also download the detailed schedule by clicking here.  

Monday

• Introduction to XChem
• XChem Lab induction
• Solvent characterisation (DMSO tolerance soaks) & data collection overnight

Tuesday

• RCaH Lab induction
• Evaluate solvent characterisation data
• Pre-run: fragment soaking of 100-200 compounds

Wednesday

• Pre-run samples data collection
• Introduction to XChem Explorer and PanDDA
• Ground State Model building

Thursday

• Pre-run data analysis

Friday (typically a half day)

• Comp chem introduction
• Feedback

You subsequent visit is up to two days and will allow you to complete the full screen.  It is entirely up to you how you distribute the necessary work that needs to be done in that time (see the list below).

• Image crystal trays in RCaH
• Target and rank droplets using TeXRank
• Dispense fragments using the ECHO
• Harvest crystals using the Shifter following incubation
• Upload sample information to iSPyB
• Unattended data collection on I04-1 (pucks loaded on the beamline by the XChem Team)
• Submit a list of sample recollects by 9am (to allow the XChem team to recollect and change the pucks)
• Clean pins*

*you are required to clean the same number of used pins that you use for your experiment, this can be done either day of your visit depending on how busy you are.

Pre-visit: (if applicable)

If your crystal trays are already on site we can image them prior to your visit (a few days before) so that you can perform the targeting and ranking remotely before you come to site to save time - speak to your XChem Local Contact about this

What qualifies as a recollect?

If your sample did not centre correctly (miscentred or moved significantly out of the beam during data collection).  Poor diffraction doesn't qualify.