Open Dataset XSLGMJSW

Apoptosis-Inducing Factor and a focused 2-Aminobenzothiazole Fragment Library


Using the allosteric oxidoreductase Apoptosis-Inducing Factor (AIF) as an exemplary system, we apply HT-SAXS to identify allosteric candidates among hits of a microscale thermophoresis ligand screen using a focused 2-aminobenzothiazole fragment library. This dataset is described in detail in an upcoming Methods in Enzymology manuscript.

Experimental description:

N-terminally truncated AIF (78-613) was expressed in bacteria and purified as described in Brosey et al, Structure, 2016. Purified AIF was exchanged into SAXS buffer by size-exclusion chromatography (Superdex 200 10/300) to ensure monodisperse protein. SAXS samples were prepared at 4 mg/mL with direct addition of DMSO or library fragments (10 mg/mL) to protein and SEC-matched buffers. HT-SAXS data were collected by mail-in service at ALS beamline 12.3.1 (SIBYLS) at Lawrence Berkeley National Laboratory.

File description:

File names are descriptive for DMSO or the ligand identifier.

Data collection technique:



1.27 Å

Sample to Detector Distance

1.5 m

Created: 2022-08-05

Updated: 2022-11-12

Submitting Author:

Chris Brosey

University of Texas MD Anderson Cancer Center

United States of America

[email protected]


Project Leader:

John Tainer

[email protected]

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Complete Set of SAXS Data Files:

The complete SAXS dataset is downloadable as a zip file.

Sample SAXS Data Files (total 0):

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Supplemental Data and Supporting Materials (total 0):

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SAXS Similarity SAXS FrameSlice


  • Macromolecule 1: AIF
    • Sample Full Name: Apoptosis-Inducing Factor
    • Sample Type: Protein
    • Source Organism: Homo sapiens
    • Source Organism NCBI Taxonomy ID: 1758
    • Expression System: Escherichia coli
    • Expression NCBI Taxonomy ID: 9606
    • Sequence or Chemical Formula: