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 'Applying HT-SAXS to chemical ligand screening', Methods in Enzymology, 2023;678:331-350.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.
2023-03-23Data collection technique
Advanced Light SourceBeamline
1.27 ÅSample to Detector Distance
University of Texas MD Anderson Cancer Center
United States of America
Data Download Terms:
Complete Set of SAS Data Files
The complete SAS dataset is downloadable as a zip file.
- Simple-SAXS-Deposition.zip Download
Individual SAS Data Files (total 0)
These are individual SAS data files that may be raw or processed (merged, etc.). These may or not be included in a zip file containing a larger dataset.
Supplemental Data and Supporting Materials (total 0)
These data and materials may include X-ray crystal structure coordinates, multi-angle light scattering data, .etc. It may also include additional details or methods pertaining to the SAXS experiments, or the researcher's interpretations of the results.
Open SAXS data analysis sites in a new tab using these linksSAXS 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
- Uniprot ID: O95831
- Sequence or Chemical Formula: