Why protein R-factors are so large: A self-consistent analysis

Proteins: Structure, Function and Genetics

Volumn 46, Issue 4, 2002, Pages 345-354

  Vitkup, Dennis ^a,b   Ringe, Dagmar ^a   Karplus, Martin ^b,c   Petsko, Gregory A ^a  

^a BRANDEIS UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

^c UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

MYOGLOBIN; PROTEIN;

ANALYTICAL ERROR; ANISOTROPY; ARTICLE; CRYSTAL STRUCTURE; HUMAN; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; X RAY CRYSTALLOGRAPHY;

ANIMALS; ANISOTROPY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; MODELS, THEORETICAL; MYOGLOBIN; PLANT PROTEINS; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS;

EID: 0036499648     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10035     Document Type: Article

References (29)

1. PRO-CHECK: A program to check the stereochemical quality of protein structure
2. Traitment statisque des erreurs dans la détermination des structures cristallines
3. Errors in three dimensions
4. Enzyme crystal structure in an neat organic solvent
5. Functional implications of interleukin-1b based on the three dimensional structure
6. Crystallographic refinement of interleukin 1 beta at 2.0 A resolution
7. Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution
8. Largest likely values for the reliability index
9. Effect of anisotropy and anharmonicity on protein crystallographic refinement
10. Free R value: A novel statistical quantity for assessing the accuracy of crystal structures
11. Fluctuations in protein structure from X-ray diffraction
12. Why are protein crystallographic R-value so high?
13. Comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin
14. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
15. Model-building and refinement practice
16. Locally accessible conformations of proteins - Multiple molecular dynamics simulations of crambin
17. Anisotropy and anharmonicity of atomic fluctuations in proteins: Analysis of a molecular dynamics simulation
18. Full-matrix least-squares refinement of lysozymes and analysis of anisotropic thermal motion
19. Multiple conformational states of proteins: A molecular dynamics analysis of myoglobin
20. Normal mode refinement: Crystallographic refinement of protein dynamic structure
21. Normal mode refinement: Crystallographic refinement of protein dynamic structure. II. Application to human lysozyme
22. Inclusion of thermal motion in crystallographic structures by restrained molecular dynamics
23. Simulation of activation free energies in molecular systems