Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12), MOF SU-100 (16), protein MutT homolog 1 (38) 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 GUI aims to streamline data processing and minimize the need for manual data processing.
The four datasets below are examples used in the Automated EffortLess MicroED Graphic User Interface (AutoLEI) paper.
GUI available: https://zenodo.org/records/15206752
A. Data information
Dataset 1: Tyrosine (Small molecule), 12 datasets in total
Dataset 2: SU-100 (Small molecule), 16 datasets in total
Dataset 3: MutT homolog 1 (Macro molecule), 38 datasets in total
Dataset 4: Lysozyme (Macro molecule), 71 datasets in total
B. Data collection
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 |
SU-100 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 | 248 | 0.233 | -16.82 | 40.64 | 131.2 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data2 | 486 | 0.233 | -55.22 | 57.62 | 129.4 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data3 | 472 | 0.232 | -51.78 | 57.67 | 129.3 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data4 | 399 | 0.232 | -56.68 | 35.79 | 129.8 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data5 | 319 | 0.233 | -15.51 | 58.42 | 126.1 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data6 | 302 | 0.233 | -50.47 | 19.52 | 128.6 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data7 | 87 | 0.233 | -50.01 | -29.93 | 130.2 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data8 | 349 | 0.232 | -57.04 | 23.81 | 130.5 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data9 | 475 | 0.233 | -48.75 | 61.56 | 128.8 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data10 | 422 | 0.233 | -48.35 | 49.53 | 128.2 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data11 | 415 | 0.233 | -57.64 | 38.62 | 129.0 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data12 | 351 | 0.232 | -54.26 | 26.95 | 128.2 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data13 | 466 | 0.233 | -53.95 | 54.18 | 130.2 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data14 | 450 | 0.233 | -51.83 | 52.56 | 129.0 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data15 | 443 | 0.233 | -49.31 | 53.57 | 129.0 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
| data16 | 374 | 0.233 | -39.30 | 47.46 | 129.3 | 0.0251 | 439.48 | 516 | 516 | 49.860 |
MutT homolog 1 data was collected with a CMOS CetaD detector installed on a Titan Krios G3i with an autoloader.
Data collection software: EPUD
Cryo-EM infrastructure unit, Scilifelab, Stockholm.
| Rotation axis.(°) | WL (Å) | Camera_l (mm) | Size1 | Size2 | Pixel Size (1/nm) |
|---|---|---|---|---|---|
| -6.0 | 0.019687 | 2487.83 | 2048 | 2048 | 5.717 |
Lysozyme data was collected with a CMOS CetaD detector installed on a Titan Krios G2 with an autoloader.
Data collection software: EPUD
Cryo-EM infrastructure unit, Scilifelab, Stockholm.
| Rotation axis.(°) | WL (Å) | Camera_l (mm) | Size1 | Size2 | Pixel Size (1/nm) |
|---|---|---|---|---|---|
| -174.4 | 0.01968 | 1155.0 | 2048 | 2048 | 12.318 |
C. Reference
[1] Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010