Cited by 4,361Enzyme Structure and FunctionCrystal structures of chemical compoundsProtein Structure and Dynamics

PHENIX : building new software for automated crystallographic structure determination

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Adams, Paul D., Grosse-Kunstleve, Ralf W., Hung, Li-Wei, Ioerger, Thomas R., McCoy, Airlie J., Moriarty, Nigel W., Read, Randy J., Sacchettini, James C. +2 more·2002·Acta Crystallographica Section D Biological Crystallography

Abstract

Structural genomics seeks to expand rapidly the number of protein structures in order to extract the maximum amount of information from genomic sequence databases. The advent of several large-scale projects worldwide leads to many new challenges in the field of crystallographic macromolecular structure determination. A novel software package called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is therefore being developed. This new software will provide the necessary algorithms to proceed from reduced intensity data to a refined molecular model and to facilitate structure solution for both the novice and expert crystallographer.

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  • The quality indicators for the crystal structures of the Syt1-SNARE complex are well within acceptable ranges indicated by the polygon plot produced by phenix.refine and by the validation report of the deposited structures and diffraction data.

    “The quality indicators for the crystal structures of the Syt1-SNARE complex are well within acceptable ranges indicated by the “polygon” plot produced by phenix.refine72 and by the validation report of the deposited structures and diffraction data.”

    From Architecture of the synaptotagmin–SNARE machinery for neuronal exocytosis (2015) · cites this paper as [72]

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  • Electron density images from x-ray crystallography or cryo-electron microscopy produce proximity constraints representable as networks of atoms linked to other atoms in close spatial proximity.

    “At the atomic scale, electron density images generated by x-ray crystallography (Adams et al., 2002; Kleywegt et al., 2004; Yang et al., 2016) or cryo-electron microscopy (cryo-EM) (Chen et al., 2016; Frenz et al., 2017; Hryc et al., 2017) produce proximity constraints that can be represented as networks of atoms (nodes) linked to other atoms determined to be in close spatial proximity (edges).”

    From Mapping the multiscale structure of biological systems (2021) · cites this paper as Adams et al., 2002

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Research works printed but not linked: 2

  1. Adams, P. D., Pannu, N. S., Read, R. J. & Bru È nger, A. T. (1997). Proc. Natl Acad. Sci. USA, 94, 5018±5023.
  2. Read, R. J. (1991). Proceedings of the CCP4 Study Weekend. Isomorphous Replacement and Anomalous Scattering, edited by W. Wolf, P. R. Evans & A. G. W. Leslie, pp. 69±79. Warrington: Daresbury Laboratory.

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Authors
Adams, P. D., Grosse-Kunstleve, R. W., Hung, L.-W., Ioerger, T. R., McCoy, A. J., Moriarty, N. W., Read, R. J., Sacchettini, J. C., Sauter, N. K., & Terwilliger, T. C.
Affiliations
  • Lawrence Berkeley National Laboratory (US)
  • Los Alamos National Laboratory (US)
  • Texas A&M University (US)
  • University of Cambridge (GB)
Venue
Acta Crystallographica Section D Biological Crystallography
Published
2002-10-21
Volume
58
Issue
11
Pages
1948-1954
ISSN
0907-4449 (ISSN-L)
OpenAlex
W2109184569
Cited by
4,361
References
11
Citations by year
2026: 89 · 2025: 156 · 2024: 146 · 2023: 165 · 2022: 183 · 2021: 174 · 2020: 190 · 2019: 231 · 2018: 193 · 2017: 187 · 2016: 216 · 2015: 223 · 2014: 218 · 2013: 277 · 2012: 299
FWCI
5.61
Type
journal article
Language
en
Open access
Locations
  • Acta Crystallographica Section D Biological Crystallography (publishedVersion, cc-by)
  • PubMed (publishedVersion)
  • OakTrust (Texas A&M University Libraries) (submittedVersion)
Funders
  • U.S. Department of Energy (DE-AC03-?, AC03-76SF00098, DEAC03-76SF00098)
  • National Institutes of Health (DE-AC03- 76SF00098)
  • National Institute of General Medical Sciences (P01GM063210)
Topics
  • Physical Sciences › Materials Science › Materials Chemistry › Enzyme Structure and Function
  • Physical Sciences › Chemistry › Inorganic Chemistry › Crystal structures of chemical compounds
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
Keywords
automated structure determination, macromolecular crystallography, structural genomics, protein structure, intensity data, software package development
MeSH terms
Algorithms, Automation, Models, Molecular, Proteins, Software, Molecular Structure, Crystallography, X-Ray, Genomics

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