Diffraction images of crystals of the spectrin repeats 7 and 8 (SR7-SR8) of the plakin domain of human plectin (PDB code 5J1G): native and Hg-derivative datasets for phasing by SIRAS

Diffraction images of crystals of a fragment of the plakin domain of human plectin that includes the spectrin repeats 7 to 8 (SR7-SR8).

Images correspond to the dataset used to solve and refine the pdb entry 5J1G (http://www.rcsb.org/pdb/explore/explore.do?structureId=5J1G).

The structure was phase by single isomorphous replacement with anomalous scattering (SIRAS) using two datasets: one from a native crystal and another one from a crystal derivatized with the mercurial compound ethylmercurithiosalicylate (EMTS).

The Native dataset was collected on a single crystal at the beamline XALOC of the ALBA Synchrotron (Barcelona, Spain) using radiation of 0.9792 Å wavelength and a PILATUS 6M detector. The dataset consists of 4 wedges of 450 images each (0.2º oscillation per image). Each wedge was collected at a different position of the same crystal. The crystals belong to the space group P21 with approximate cell dimensions a=45.7 Å, b=115.9 Å, c=64.8 Å, beta=97.6 º.

The data from a mercurial derivative (EMTS) was collected in house using a rotating anode X-ray generator (wavelength 1.54179 Å) and a mar345 image plate detector. The dataset consists of 360 images (1º oscillation per image). The crystal was isomorphic to the native crystal.

In addition to the diffraction images the following files are included:

a) Files for indexing with the program XDS and the HKL files containing the integrated intensities.

b) Files for scaling using the program xscale (directory XSCALE_5J1G_Native_EMTS).
c) The directory "phasing_shelx" contains hkl files of the intensities of the native and EMTS datasets in a format suitable for analysis with Shelx. This directory also contains the files of the phasing by SIRAS using Shelx C/D/E.