Raw diffraction images: C60 in a peptidic cage - a case of symmetry mismatch

X-Ray synchrotron diffraction data for the crystal of peptidic capsule N-acetyl-L-phenylalanie hydrazide with encapsulated C₆₀. X-ray diffraction data were collected at at the EMBL beamline P13 of the Petra III storage ring (DESY, Hamburg, Germany) at a wavelength of 0.8266 Å using a PILATUS 6M detector. The data were collected at the cryogenic temperature of 100 K. The diffraction data were indexed, integrated and scaled in the two space groups I4 and I422, but for reasons explained in the related publication, we first chose the former. The correct latter space group was used for the final model refinement. The data was recorded in one pass of 3600 images to resolution of 0.76 Å with crystal-to-detector distance 136.198 mm. The direct beam position was; x=1222px, y=1260px, oscillation angle was 0.05°.