Oxyresveratrol datasets

Continuous Rotation (Anhydrate_Oxyresveratrol) Project NanED (www.naned.eu) Instrumental Instrument Zeiss Libra 120 Radiation source LaB6 Accelerating voltage 120 kV Wavelength 0.0335 Å Probe Type Nanodiffraction Beam Diameter 600 nm Beam Convergence Parallel beam Detector Timepix Single Electron Detector Number of pixels in the image 512 x 512 Physical pixel size 55 µm * 55 µm Effective camera length 180 mm Calibration constant 0.006027 Å-1/pixel Sample description Name Anhydrate Oxyresveratrol Chemical composition C14H12O4 Sample source Sigma Sample preparation Crushed between two glass slides before deposition on a Cu grid. Experimental Data type 3D Electron Diffraction (3D ED) Data collection method Continuous Rotation Electron Diffraction (CRED) Rotation Speed 1.12º/s Temperature 293 K Number of crystals contributing to the dataset 1 Number of experimental frames 199 Tilt range, tilt step -54.85º to +60.49º Exposure time per frame 500ms Software Software used for data collection WinTEM (Zeiss), LibraEDT Software used for processing Pets2 Software used for solution Shelxt Software used for refinement Jana2020 Precession: Instrumental Instrument Zeiss Libra 120 Radiation source LaB6 Accelerating voltage 120 kV Wavelength 0.0335 Å Probe Type Nanodiffraction Beam Diameter 150 nm Beam Convergence Parallel beam Detector Timepix Single Electron Detector Number of pixels in the image 512 x 512 Physical pixel size 55 µm * 55 µm Effective camera length 144 mm Calibration constant 0.006027 Å-1/pixel Sample description Name Hydrate Oxyresveratrol Chemical composition C14H12O4.2H2O Sample source Sigma Sample preparation Cryoplunge freezing Experimental Data type 3D Electron Diffraction (3D-ED) Data collection method Precession Precession Semiangle 1º Temperature 93 K Number of crystals contributing to the dataset 1 Number of experimental frames 91 Tilt range, tilt step -30º to +60, 1º Exposure time per frame 1s Software Software used for data collection WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics) Software used for processing PETS2 Software used for solution SIR2019 Software used for refinement Jana2020