3DED/MicroED datasets
Published September 24, 2024 | Version v1
Dataset Open

Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12) and Lysozyme (71)

Creators

  • 1. ROR icon Stockholm University

Description

The Automated EffortLess MicroED Graphic User Interface (AutoLEI) is designed to automatically process and merge batches of rotation electron diffraction datasets using XDS[1]. This small GUI tool aims to streamline data processing and minimize the need for manual data processing.

The two datasets below are examples used in the Automated EffortLess MicroED Graphic User Interface (AutoLEI) paper

*Both datasets include processed results and raw images. You can ignore or delete processed xds files simply by clicking "Delete xds" in Autolei.

 

A. Data information

Dataset 1: Tyrosine (Small molecule)

Dataset 2: Lysozyme (Macro molecule)

 

B. Data collection 

12/12 Tyrosine data was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament. A Gatan 914 cryo-holder is employed to collect data at cryo temperature.

Data collection software: Instamatic.

Electron Microscopy Center, the Department of Materials and Environmental Chemistry, Stockholm University.

Data #Frame Step (°) Start (°) End (°) Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm)
data1 415 0.233 -50.82 45.44 129.2 0.0251 439.48 516 516 49.860
data2 475 0.233 -57.19 53.07 129.4 0.0251 439.48 516 516 49.860
data3 139 0.232 -51.23 -19.17 128.6 0.0251 439.48 516 516 49.860
data4 421 0.233 -50.67 47.01 128.9 0.0251 439.48 516 516 49.860
data5 448 0.233 -54.51 49.43 130.1 0.0251 439.48 516 516 49.860
data6 330 0.233 -54.97 21.54 129.1 0.0251 439.48 516 516 49.860
data7 41 0.232 -57.39 -48.12 128.3 0.0251 439.48 516 516 49.860
data8 459 0.233 -53.60 53.03 128.7 0.0251 439.48 516 516 49.860
data9 430 0.233 -38.49 61.25 129.7 0.0251 439.48 516 516 49.860
data10 509 0.233 -56.38 61.91 128.6 0.0251 439.48 516 516 49.860
data11 353 0.223 -61.69 16.79 130.2 0.0251 439.48 516 516 49.860
data12 514 0.233 -52.99 66.36 129.2 0.0251 439.48 516 516 49.860

 

51/71 Lysozyme data was collected with a CMOS CetaD detector installed on a Titan Krios G3i equipped with an autoloader. 

Data collection software: EPUD

Cryo-EM infrastructure unit, Scilifelab, Stockholm.

Data #Frame Step (°) Start (°) End (°) Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm)
data1 29 0.5 0.0 14.5 -173.5 0.01968 1155.0 2048 2048 12.318
data2 29 0.5 0.0 14.5 -173.7 0.01968 1155.0 2048 2048 12.318
data3 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data4 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318
data5 29 0.5 0.0 14.5 -175.1 0.01968 1155.0 2048 2048 12.318
data6 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318
data7 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318
data8 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318
data9 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318
data10 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data11 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318
data12 29 0.5 0.0 14.5 -174.7 0.01968 1155.0 2048 2048 12.318
data13 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318
data14 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318
data15 29 0.5 0.0 14.5 -174.5 0.01968 1155.0 2048 2048 12.318
data16 29 0.5 0.0 14.5 -175.9 0.01968 1155.0 2048 2048 12.318
data17 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data18 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318
data19 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318
data20 28 0.5 0.0 14.0 -174.7 0.01968 1155.0 2048 2048 12.318
data21 29 0.5 0.0 14.5 -171.6 0.01968 1155.0 2048 2048 12.318
data22 29 0.5 0.0 14.5 -173.7 0.01968 1155.0 2048 2048 12.318
data23 29 0.5 0.0 14.5 -175.7 0.01968 1155.0 2048 2048 12.318
data24 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318
data25 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data26 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data27 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318
data28 28 0.5 0.0 14.0 -175.6 0.01968 1155.0 2048 2048 12.318
data29 26 0.5 0.0 13.0 -174.6 0.01968 1155.0 2048 2048 12.318
data30 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data31 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data32 29 0.5 0.0 14.5 -174.3 0.01968 1155.0 2048 2048 12.318
data33 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data34 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318
data35 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318
data36 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318
data37 29 0.5 0.0 14.5 -174.2 0.01968 1155.0 2048 2048 12.318
data38 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318
data39 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data40 29 0.5 0.0 14.5 -176.6 0.01968 1155.0 2048 2048 12.318
data41 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318
data42 29 0.5 0.0 14.5 -173.9 0.01968 1155.0 2048 2048 12.318
data43 29 0.5 0.0 14.5 -174.1 0.01968 1155.0 2048 2048 12.318
data44 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data45 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318
data46 29 0.5 0.0 14.5 -174.2 0.01968 1155.0 2048 2048 12.318
data47 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318
data48 29 0.5 0.0 14.5 -175.3 0.01968 1155.0 2048 2048 12.318
data49 29 0.5 0.0 14.5 -175.6 0.01968 1155.0 2048 2048 12.318
data50 29 0.5 0.0 14.5 -175.7 0.01968 1155.0 2048 2048 12.318
data51 29 0.5 0.0 14.5 -175.3 0.01968 1155.0 2048 2048 12.318

C. Reference

[1] Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010

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