In-house high energy remote SAD-phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations on the same human IBA57 crystal to increase multiplicity.

The dataset named IBA57-I3C.zip contains pck diffraction images of 9 runs (orientations) of a human IBA57 crystal soaked with 5-amino-2,4,6-triiodoisophthalic acid (I3C) collected on an in-house source. Multiple orientations (runs) of the very same triclinic crystal have been exploited to acquire sufficient real data multiplicity for SAD-phasing. Each folder named run* contains the pck images and the relevant XDS.INP file for processing. The file runs.txt in the top directory gives the phi, kappa, omega and theta details on each of the 9 runs. The dataset named IBA57-native.zip contains pck images of 1 run (360 images around phi only) of a native human IBA57 crystal collected on the same in-house source and the relevant XDS.INP file for processing; this dataset is needed for SIRAS along with the I3C dataset.