Work

Exploring the speed and performance of molecular replacement withAMPLEusingQUARK ab initioprotein models

Year: 2015

Type: article

Abstract: AMPLE clusters and truncates ab initio protein structure predictions, producing search models for molecular replacement. Here, an interesting degree of complementarity is shown between targets solved using the different ab initio modelling programs QUARK and ROSETTA. Search models derived from either program collectively solve almost all of the all-helical targets in the test set. Initial solutions produced by Phaser after only 5 min perform surprisingly well, improving the prospects for in situ structure solution by AMPLE during synchrotron visits. Taken together, the results show the potential for AMPLE to run more quickly and successfully solve more targets than previously suspected.

Source: Acta Crystallographica Section D Biological Crystallography

DOI: 10.1107/s1399004714025784

Authors: Ronan M. Keegan, Jaclyn Bibby, Jens Thomas, Dong Xu, Yang Zhang, Olga Mayans, Martyn D. Winn, Daniel J. Rigden

Institutions: Rutherford Appleton Laboratory, Research Complex at Harwell, University of Liverpool, Sanford Burnham Prebys Medical Discovery Institute, University of Michigan, Science and Technology Facilities Council, Daresbury Laboratory

Language: English

Topic: Enzyme Structure and Function

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $1,398

Funders: Biotechnology and Biological Sciences Research Council, National Institute of General Medical Sciences

Awards: G1334972769, CCP4 Grant Renewal 2014-2019: Question-driven crystallographic data collection and advanced structure solution, G4601789714, G4768060552, G4920290116, Ab initio protein modelling for automated X-ray crystal structure solution, G6457563902, I-TASSER based atomic level protein structure prediction, Ab initio protein modelling for automated X-ray crystal structure solution, CCP4 Grant Renewal 2014-2019: Question-driven crystallographic data collection and advanced structure solution

OpenAlex ID: W2142267451

FWCI: 1.199

Cites: 35

Cited by: 24

Related to: 10