3DED data of L-histidine

3DED data of commerically obtained L-histidine monohydrochloride monohydrate were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the data collections.

Project

Project label

Sample label
NEDFSO_0023

Collection site
University of Southampton, NCS

Instrumental

Instrument
Rigaku XtaLAB Synergy-ED, electron diffractometer

Radiation source
LaB6

Accelerating voltage [kV]
200

Wavelength [Å]
0.02510

Probe type
Parallel beam

Beam diameter

Beam convergence
Parallel beam

Detector
Rigaku HyPix-ED, hybrid pixel array detector

Number of pixels in the image
775 x 385

Pixel size [µm]
100

Hardware binning
1

Sample description

Name
L-histidine monohydrochloride monohydrate

Chemical composition
C6H9N3O2 · HCl · H2O

Sample source
commercial

Grid
Agar Scientific holey carbon coated copper grid 200 mesh

Sample preparation
solid sample ground with mortar and pestle, dispersed between microscopy glass slides, grid tapped on solid, cryo transfer @ 175 K

Sample holder
GATAN Elsa cryo-transfer holder 698

Experimental

Data type
Electron diffraction data - 3DED

Data collection method
continuous rotation  - cRED

Collection temperature [K]
175

Software

Software used for the data collection
CrysAlisPro 1.171.43.112a

Software used for processing
CrysAlisPro 1.171.43.119a

Files and data formats

Image folders
./frames/xxx.rodhypix./frames/PETS_exp_705/frames/xxx.tiff

Image format
.rodhypix (Rigaku proprietary image format).tiff (16bit, converted with CrysAlisPro 1.171.43.119a)

Additional files

CrysAlisPro input files:./expinfo/./CrysalisExpSettings.ini./exp_705.par./exp_705.run./new.ccd

PETS2 (http://pets.fzu.cz/) input file:./frames/PETS_exp_705/exp_705.pts2

Crystal Image:./exp_705_microed_grain_snapshot.jpg