STRUCTURE FACTOR CALCULATIONS FOR A SIDE-BY-SIDE MODEL OF B-DNA

S R Hubbard; R J Greenall; A K Shrive; V T Forsyth; A Mahendrasingam

STRUCTURE FACTOR CALCULATIONS FOR A SIDE-BY-SIDE MODEL OF B-DNA

S R Hubbard, R J Greenall, A K Shrive, V T Forsyth, A Mahendrasingam

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

In this paper, the side-by-side model of DNA proposed by Premilat and Albiser is investigated. The axial repeat of the model is equal to the c-axis repeat in the observed B-DNA unit cell in fibres. However, the model does not pack into the unit cell as efficiently as the B-DNA double helix does, nor is it as successful as the double helix in predicting the observed Bragg amplitudes. When the azimuthal orientations and the relative axial displacements of the two molecules in the unit cell are allowed to take general values, the best crystallographic. R factor for the side-by-side model is 43.43% compared with 34.33% for the double helix. If constraints consistent with the accepted B-DNA space group, P2(1)2(1)2(1), are applied, the best R factors are 45.53% for the side-by-side model and 34.51% for the double helix. Therefore, the side-by-side model can be rejected as a possible conformation for B-DNA in crystalline fibres.

Original language	English
Pages (from-to)	195-205
Number of pages	11
Journal	International journal of biological macromolecules
Volume	16
Issue number	4
Publication status	Published - Aug 1994

Keywords

DNA DOUBLE HELICAL MODEL
DNA SIDE-BY-SIDE MODEL
X-RAY FIBER DIFFRACTION
CONFORMATION

Cite this

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title = "STRUCTURE FACTOR CALCULATIONS FOR A SIDE-BY-SIDE MODEL OF B-DNA",

abstract = "In this paper, the side-by-side model of DNA proposed by Premilat and Albiser is investigated. The axial repeat of the model is equal to the c-axis repeat in the observed B-DNA unit cell in fibres. However, the model does not pack into the unit cell as efficiently as the B-DNA double helix does, nor is it as successful as the double helix in predicting the observed Bragg amplitudes. When the azimuthal orientations and the relative axial displacements of the two molecules in the unit cell are allowed to take general values, the best crystallographic. R factor for the side-by-side model is 43.43% compared with 34.33% for the double helix. If constraints consistent with the accepted B-DNA space group, P2(1)2(1)2(1), are applied, the best R factors are 45.53% for the side-by-side model and 34.51% for the double helix. Therefore, the side-by-side model can be rejected as a possible conformation for B-DNA in crystalline fibres.",

keywords = "DNA DOUBLE HELICAL MODEL, DNA SIDE-BY-SIDE MODEL, X-RAY FIBER DIFFRACTION, CONFORMATION",

author = "Hubbard, {S R} and Greenall, {R J} and Shrive, {A K} and Forsyth, {V T} and A Mahendrasingam",

year = "1994",

month = aug,

language = "English",

volume = "16",

pages = "195--205",

journal = "International journal of biological macromolecules",

issn = "0141-8130",

publisher = "Elsevier",

number = "4",

}

TY - JOUR

T1 - STRUCTURE FACTOR CALCULATIONS FOR A SIDE-BY-SIDE MODEL OF B-DNA

AU - Hubbard, S R

AU - Greenall, R J

AU - Shrive, A K

AU - Forsyth, V T

AU - Mahendrasingam, A

PY - 1994/8

Y1 - 1994/8

N2 - In this paper, the side-by-side model of DNA proposed by Premilat and Albiser is investigated. The axial repeat of the model is equal to the c-axis repeat in the observed B-DNA unit cell in fibres. However, the model does not pack into the unit cell as efficiently as the B-DNA double helix does, nor is it as successful as the double helix in predicting the observed Bragg amplitudes. When the azimuthal orientations and the relative axial displacements of the two molecules in the unit cell are allowed to take general values, the best crystallographic. R factor for the side-by-side model is 43.43% compared with 34.33% for the double helix. If constraints consistent with the accepted B-DNA space group, P2(1)2(1)2(1), are applied, the best R factors are 45.53% for the side-by-side model and 34.51% for the double helix. Therefore, the side-by-side model can be rejected as a possible conformation for B-DNA in crystalline fibres.

AB - In this paper, the side-by-side model of DNA proposed by Premilat and Albiser is investigated. The axial repeat of the model is equal to the c-axis repeat in the observed B-DNA unit cell in fibres. However, the model does not pack into the unit cell as efficiently as the B-DNA double helix does, nor is it as successful as the double helix in predicting the observed Bragg amplitudes. When the azimuthal orientations and the relative axial displacements of the two molecules in the unit cell are allowed to take general values, the best crystallographic. R factor for the side-by-side model is 43.43% compared with 34.33% for the double helix. If constraints consistent with the accepted B-DNA space group, P2(1)2(1)2(1), are applied, the best R factors are 45.53% for the side-by-side model and 34.51% for the double helix. Therefore, the side-by-side model can be rejected as a possible conformation for B-DNA in crystalline fibres.

KW - DNA DOUBLE HELICAL MODEL

KW - DNA SIDE-BY-SIDE MODEL

KW - X-RAY FIBER DIFFRACTION

KW - CONFORMATION

M3 - Article

SN - 0141-8130

VL - 16

SP - 195

EP - 205

JO - International journal of biological macromolecules

JF - International journal of biological macromolecules

IS - 4

ER -