CDApps: integrated software for experimental planning and data processing at beamline B23, Diamond Light Source

Abstract

The B23 Circular Dichroism beamline at Diamond Light Source has been operational since 2009 and has seen visits from more than 200 user groups, who have generated large amounts of data. Based on the experience of overseeing the users' progress at B23, four key areas requiring the most assistance are identified: planning of experiments and note-keeping; designing titration experiments; processing and analysis of the collected data; and production of experimental reports. To streamline these processes an integrated software package has been developed and made available for the users. The subsequent article summarizes the main features of the software.

High-throughput SRCD using multi-well plates and its applications

“…Care should be taken in baseline subtraction by using the same corresponding well where the sample is loaded to avoid any differences in birefringence between the wells which could affect the results. All SRCD measurements were baseline subtracted and processed using CDApps15.…”

Structural and Functional Basis for Lipid Synergy on the Activity of the Antibacterial Peptide ABC Transporter McjD

“…S2). Results obtained were processed using CDApps (37) and OriginLab with T m calculated using Boltzmann equation. Secondary structure estimation from CD spectra was carried out using CDApps using Continll algorithm (38).…”

The gelatinase biosynthesis‐activating pheromone binds and stabilises the FsrB membrane protein in Enterococcus faecalis quorum sensing

“…Melting temperatures of 60.8 AE 4.2°C for FsrB, and the higher value of 70.1 AE 3.4°C for FsrB in the presence of GBAP were obtained, demonstrating that the presence of GBAP does indeed result in a marked increased stability of FsrB. Principal component analysis (PCA) undertaken as described previously [36] for the thermal melt of FsrB alone and in the presence of GBAP reveals a transition at 50°C into two distinct species (components) in both cases representing 75.7% variance (Fig. S1).…”