Mooers Blaine H M
Department of Biochemistry and Molecular Biology, and Stephenson Cancer Center, University of Oklahoma Health Sciences Center, 975 NE 10th Street, BRC 466, Oklahoma City, OK 73104, USA.
Acta Crystallogr D Struct Biol. 2016 Apr;72(Pt 4):477-87. doi: 10.1107/S2059798316001224. Epub 2016 Mar 24.
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.
从随机相位开始使用直接方法，仅利用原生衍射数据（分辨率极限为1.05 Å）和计算机程序SIR2014确定了一个32个碱基对的RNA（不对称单元中有675个非氢RNA原子）的晶体结构。不对称单元中RNA的近三个螺旋圈引入了部分或不完美的平移伪对称性（TPS），当按l米勒指数平均时，这种伪对称性会调制强度，但仍未被自动检测到。与没有TPS的类似大小的RNA发夹（27个核苷酸，580个非氢RNA原子）相比，平均而言，要测试近六倍数量的随机相位集才能得到正确的结构。需要更灵敏的方法来自动检测部分TPS。
