A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software

DOI: 10.3390/cryst7080242

Authors: Anastasia Mylona (Francis Crick Institute) , Stephen Carr (Research Complex at Harwell; University of Oxford) , Pierre Aller (Diamond Light Source) , Isabel Moraes (Diamond Light Source) , Richard Treisman (Francis Crick Institute) , Gwyndaf Evans (Diamond Light Source) , James Foadi (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystals , VOL 7

State: Published (Approved)
Published: August 2017
Diamond Proposal Number(s): 8031 , 8681 , 5005 , 4982

Abstract: The present article describes how to use the computer program BLEND to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of BLEND on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences.

Journal Keywords: BLEND; multiple crystals; hierarchical cluster analysis; protein-protein-DNA complex

Subject Areas: Technique Development, Information and Communication Technology

Diamond Offline Facilities: Membrane Protein Laboratory (MPL)
Instruments: I03-Macromolecular Crystallography , I04-1-Macromolecular Crystallography (fixed wavelength) , I04-Macromolecular Crystallography , I24-Microfocus Macromolecular Crystallography

Documents:
crystals-07-00242.pdf