关键词: Patterson analysis RNA structure determination ab initio phasing helical symmetry noncrystallographic symmetry

Mesh : Crystallography, X-Ray Inverted Repeat Sequences RNA, Protozoan / chemistry Software Trypanosoma / chemistry

来  源:   DOI:10.1107/S2059798316001224   PDF(Sci-hub)   PDF(Pubmed)

Abstract:
Using direct methods starting from random phases, the crystal structure of a 32-base-pair RNA (675 non-H RNA atoms in the asymmetric unit) was determined using only the native diffraction data (resolution limit 1.05 Å) and the computer program SIR2014. The almost three helical turns of the RNA in the asymmetric unit introduced partial or imperfect translational pseudosymmetry (TPS) that modulated the intensities when averaged by the l Miller indices but still escaped automated detection. Almost six times as many random phase sets had to be tested on average to reach a correct structure compared with a similar-sized RNA hairpin (27 nucleotides, 580 non-H RNA atoms) without TPS. More sensitive methods are needed for the automated detection of partial TPS.
摘要:
使用从随机相位开始的直接方法,仅使用天然衍射数据(分辨率极限1.05Λ)和计算机程序SIR2014确定32个碱基对RNA(不对称单元中的675个非HRNA原子)的晶体结构.不对称单元中RNA的几乎三个螺旋圈引入了部分或不完美的翻译假对称性(TPS),当通过lMiller指数平均时,其调节了强度,但仍未自动检测。与相似大小的RNA发夹(27个核苷酸,580个非HRNA原子)无TPS。需要更灵敏的方法来自动检测部分TPS。
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