Literature DB >> 11976490

Rearrangement of Cruickshank's formulae for the diffraction-component precision index.

D M Blow1.   

Abstract

The formulae for the diffraction-component precision index introduced by Cruickshank [(1999), Acta Cryst. D55, 583-601] are simplified using two approximations. A rearranged formula for the precision index is presented which can readily be calculated from experimental data. It is shown that the precision varies as (resolution)(5/2) if R and completeness are maintained. It varies as (completeness of intensity measurement)(-5/6) and its dependence on the inclusion of solvent atoms is discussed.

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Year:  2002        PMID： 11976490     DOI： 10.1107/s0907444902003931

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN： 0907-4449


  19 in total

1.  PDB ligand conformational energies calculated quantum-mechanically.

Authors:  Markus Sitzmann; Iwona E Weidlich; Igor V Filippov; Chenzhong Liao; Megan L Peach; Wolf-Dietrich Ihlenfeldt; Rajeshri G Karki; Yulia V Borodina; Raul E Cachau; Marc C Nicklaus
Journal:  J Chem Inf Model       Date:  2012-02-21       Impact factor: 4.956

2.  Protein pocket and ligand shape comparison and its application in virtual screening.

Authors:  Matthias Wirth; Andrea Volkamer; Vincent Zoete; Friedrich Rippmann; Olivier Michielin; Matthias Rarey; Wolfgang H B Sauer
Journal:  J Comput Aided Mol Des       Date:  2013-06-27       Impact factor: 3.686

3.  Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure.

Authors:  Simon W M Tanley; Antoine M M Schreurs; Loes M J Kroon-Batenburg; John R Helliwell
Journal:  Acta Crystallogr Sect F Struct Biol Cryst Commun       Date:  2012-10-26

4.  PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements.

Authors:  Yat T Tang; Garland R Marshall
Journal:  J Chem Inf Model       Date:  2011-01-07       Impact factor: 4.956

5.  Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.

Authors:  Kaspar Hollenstein; Mireia Comellas-Bigler; Loes E Bevers; Martin C Feiters; Wolfram Meyer-Klaucke; Peter-Leon Hagedoorn; Kaspar P Locher
Journal:  J Biol Inorg Chem       Date:  2009-02-21       Impact factor: 3.358

6.  Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database.

Authors:  Paul C D Hawkins; A Geoffrey Skillman; Gregory L Warren; Benjamin A Ellingson; Matthew T Stahl
Journal:  J Chem Inf Model       Date:  2010-04-26       Impact factor: 4.956

Review 7.  How to do an evaluation: pitfalls and traps.

Authors:  Paul C D Hawkins; Gregory L Warren; A Geoffrey Skillman; Anthony Nicholls
Journal:  J Comput Aided Mol Des       Date:  2008-01-23       Impact factor: 3.686

8.  Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: THE SUB-COMPLEX FORMED BY THE IRON DONOR, Yfh1 PROTEIN, AND THE SCAFFOLD, Isu1 PROTEIN.

Authors:  Wasantha Ranatunga; Oleksandr Gakh; Belinda K Galeano; Douglas Y Smith; Christopher A G Söderberg; Salam Al-Karadaghi; James R Thompson; Grazia Isaya
Journal:  J Biol Chem       Date:  2016-03-03       Impact factor: 5.157

9.  The Structure of the Complex between Yeast Frataxin and Ferrochelatase: CHARACTERIZATION AND PRE-STEADY STATE REACTION OF FERROUS IRON DELIVERY AND HEME SYNTHESIS.

Authors:  Christopher Söderberg; Mallory E Gillam; Eva-Christina Ahlgren; Gregory A Hunter; Oleksandr Gakh; Grazia Isaya; Gloria C Ferreira; Salam Al-Karadaghi
Journal:  J Biol Chem       Date:  2016-03-29       Impact factor: 5.157

Review 10.  Blind prediction of HIV integrase binding from the SAMPL4 challenge.

Authors:  David L Mobley; Shuai Liu; Nathan M Lim; Karisa L Wymer; Alexander L Perryman; Stefano Forli; Nanjie Deng; Justin Su; Kim Branson; Arthur J Olson
Journal:  J Comput Aided Mol Des       Date:  2014-03-05       Impact factor: 3.686
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