Comparison of automated crystallographic model-building pipelines

Author:

Alharbi EmadORCID,Bond Paul S.ORCID,Calinescu RaduORCID,Cowtan KevinORCID

Abstract

A comparison of four protein model-building pipelines (ARP/wARP, Buccaneer, PHENIX AutoBuild and SHELXE) was performed using data sets from 202 experimentally phased cases, both with the data as observed and truncated to simulate lower resolutions. All pipelines were run using default parameters. Additionally, an ARP/wARP run was completed using models from Buccaneer. All pipelines achieved nearly complete protein structures and low R work/R free at resolutions between 1.2 and 1.9 Å, with PHENIX AutoBuild and ARP/wARP producing slightly lower R factors. At lower resolutions, Buccaneer leads to significantly more complete models.

Funder

University of Tabuk

Biotechnology and Biological Sciences Research Council

Publisher

International Union of Crystallography (IUCr)

Subject

Structural Biology

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