For those who are not familiar with PanDDA, we recommend that you read the Pearce et aI paper to fully understand the data we present.
The structures are named on fragalysis according to the crystal number, an integer denoting the binding pose of the ligand in this dataset and a letter denoting the protein chain to which the ligand belongs in the crystal structure.
E.g. x0228_0_A is dataset x0228, ligand in binding pose 0 in chain A.
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
Copyright © 2022 Diamond Light Source
Diamond Light Source Ltd
Harwell Science & Innovation Campus
Diamond Light Source® and the Diamond logo are registered trademarks of Diamond Light Source Ltd
Registered in England and Wales at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom. Company number: 4375679. VAT number: 287 461 957. Economic Operators Registration and Identification (EORI) number: GB287461957003.