Petoukhov Maxim V, Svergun Dmitri I
European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Notkestrasse 85, 22603, Hamburg, Germany.
Eur Biophys J. 2006 Sep;35(7):567-76. doi: 10.1007/s00249-006-0063-9. Epub 2006 Apr 25.
Novel techniques for simultaneous analysis of X-ray and neutron scattering patterns from macromolecular complexes in solution are presented. They include ab initio shape and internal structure determination of multicomponent particles and more detailed rigid body modeling of complexes using high resolution structures of subunits. The methods fit simultaneously X-ray and neutron scattering curves including contrast variation data sets from selectively deuterated complexes. Biochemically sound interconnected models without steric clashes between the components displaying a pre-defined symmetry are generated. For rigid body modeling, distance restraints between specified residues/nucleotides or their ranges are taken into account. The efficiency of the methods is demonstrated in model examples, and potential sources of ambiguity are discussed.
本文介绍了用于同时分析溶液中大分子复合物的X射线和中子散射图案的新技术。这些技术包括多组分颗粒的从头形状和内部结构测定，以及使用亚基的高分辨率结构对复合物进行更详细的刚体建模。这些方法同时拟合X射线和中子散射曲线，包括来自选择性氘代复合物的对比变化数据集。生成了生化合理的相互连接模型，组件之间没有空间冲突，显示出预定义的对称性。对于刚体建模，考虑了指定残基/核苷酸之间或其范围内的距离限制。在模型示例中展示了这些方法的效率，并讨论了潜在的模糊性来源。
