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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >DIBER: protein, DNA or both?
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DIBER: protein, DNA or both?

机译：dib:蛋白质、DNA或两者?

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摘要

The program DIBER (an acronym for DNA and FIBER) requires only native diffraction data to predict whether a crystal contains protein, B-form DNA or both. In standalone mode, the classification is based on the cube root of the reciprocal unit-cell volume and the largest local average of diffraction intensities at 3.4 A resolution. In combined mode, the Phaser rotation-function score (for the 3.4 A shell and a canonical B-DNA search model) is also taken into account. In standalone (combined) mode, DIBER classifies 87.4 +/- 0.2% (90.2 +/- 0.3%) of protein, 69.1 +/- 0.3% (78.8 +/- 0.3%) of protein-DNA and 92.7 +/- 0.2% (90.0 +/- 0.2%) of DNA crystals correctly. Reliable predictions with a correct classification rate above 80% are possible for 36.8 +/- 1.0% (60.2 +/- 0.4%) of the protein, 43.6 +/- 0.5% (59.8 +/- 0.3%) of the protein-DNA and 83.3 +/- 0.3% (82.6 +/- 0.4%) of the DNA structures. Surprisingly, selective use of the diffraction data in the 3.4 A shell improves the overall success rate of the combined-mode classification. An open-source CCP4/CCP4i-compatible version of DIBER is available from the authors' website at http://www.iimcb.gov.pl/diber and is subject to the GNU Public License.
机译：程序dib (DNA和纤维)的缩写只需要本地衍射数据预测水晶是否包含蛋白质、DNA或b形式两者都有。基于互惠的立方根晶胞体积和最大的当地平均水平衍射强度为3.4一项决议。结合模式下,移相器旋转功能得分3.4(壳牌和规范B-DNA搜索模型)也考虑在内。(联合)模式,本文将87.4 + / - 0.2%(90.2 + / - 0.3%)的蛋白质,69.1 (78.8 + / - 0.3%+ / - 0.3%)的protein-DNA(90.0和92.7 + / - 0.2%+ / - 0.2%)的DNA晶体正确。预测的正确分类率80%以上的36.8 (60.2 + / - 1.0%蛋白质的+ / - 0.4%),43.6 + / - 59.8 (+ / - 0.5%0.3%)的protein-DNA(82.6和83.3 + / - 0.3%+ / - 0.4%)的DNA结构。选择性使用衍射数据的3.4shell可以提高整体的成功率combined-mode分类。CCP4 / CCP4i-compatible dib的版本可以从作者的网站http://www.iimcb.gov.pl/diber和主题GNU公共许可证。

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