Published January 15, 2026 | Version v1

Raw diffraction data for PDB 4dda and reprocessed and rerefined to 2.0Angstrom with NAG refitted to NDG

  • 1. 0000-0002-0520-7540

Description

With my colleagues (see article weblink below, authors now joined by Dr Robbie Joosten) we have a revised version of 4dda using EVAL arising from realising we used too conservative a <I/sigI> cut off at 2.5 Ang res in 2012. Our coauthor Loes Kroon Batenburg has reprocessed our publicly archived raw data according to the more recent metric of CC1/2 cut at 0.5 ie now 2.0Ang resolution. Naturally the monosaccharide bound density is much improved, which was our principal aim. We have now fitted an NDG rather than a NAG.  pdbehelp@ebi.ac.uk were informed on 24th October 2025 with a request to update our entry for 4dda linked with our gold open access article https://journals.iucr.org/paper?S0907444912006907 . Also, we had been helpfully contacted by Clemens Vonrhein of Global Phasing to alert us that downloading this and our other associated raw diffraction data sets we had placed at the University of Manchester research data archive, had developed a problem of the weblink not working properly. So, given the interest in these data re the bound sugar and being measured at a Bruker home laboratory diffractometer, and delays resolving these issues have led us to place the 4dda data (raw, processed and derived model) here at Zenodo. 

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