Swaminathan Kunchithapadam
Department of Biological Sciences, National University of Singapore, Singapore.
Acta Crystallogr A. 2012 Mar;68(Pt 2):295-7. doi: 10.1107/S0108767311052263. Epub 2012 Jan 12.
In crystallography, a centred conventional lattice unit cell has its corresponding reduced primitive unit cell. This study presents the frequency distribution of the reduced unit cells of all centred lattice entries of the Protein Data Bank (as of 23 August 2011) in four unit-cell-dimension-based groups and seven interaxial-angle-based subgroups. This frequency distribution is an added layer of support during space-group assignment in new crystals. In addition, some interesting patterns of distribution are discussed as well as how some reduced unit cells could be wrongly accepted as primitive lattices in a different crystal system.
在晶体学中，一个有心的常规晶格单位晶胞有其对应的缩减的原胞。本研究呈现了蛋白质数据库中所有有心晶格条目（截至2011年8月23日）的缩减单位晶胞在四个基于单位晶胞维度的组和七个基于轴间角的子组中的频率分布。这种频率分布在新晶体的空间群指派过程中是额外的一层支持。此外，还讨论了一些有趣的分布模式，以及在不同晶体系统中一些缩减单位晶胞如何可能被错误地当作原晶格接受。
