Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12) and Lysozyme (71)
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
Files
autolei_lysozyme_71.zip
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