Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2018 Jul 26;74(Pt 8):463–472. doi: 10.1107/S2053230X18004016

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© van Beusekom et al. 2018

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

PMC Copyright notice

Distribution of chiral volume deviations (absolute values) of anomeric centre atoms C1 in the PDB and in PDB-REDO. The optimal value for chiral volume is either −2.22 (for an α-linkage) or +2.22 (for a β-linkage); corrections of chirality are therefore expected to change the chiral volume by about 4.5. A clear improvement can be observed for the vast majority of cases (all points below the diagonal). Three distinct clusters are observed in the plot: cases with the correct hand in both the PDB and PDB-REDO (bottom left), cases with the wrong hand in the PDB but the correct hand in PDB-REDO (bottom right) and cases where the hand was incorrect in the PDB and the anomeric centre ended up flat in PDB-REDO (middle right).