Error estimates in the determination of rigid body displacements in protein crystals
作者： Simon A. Butler , Gillian W. Harris , David S. Moss , Beatrice A. Gorinsky , Margaret J. Adams
DOI: 10.1007/BF01665339
关键词: Tensor 、 Resolution (electron density) 、 Standard deviation 、 Stereochemistry 、 Crystallography 、 Chemistry 、 Normal matrix 、 Libration 、 Rigid body 、 Protein secondary structure 、 Reflection (mathematics) 、 Mathematical analysis
摘要: We report the estimation of random errors in refinement rigid body displacements α-helices enzyme 6-phosphogluconate dehydrogenase. Least-squares TLS parameters helices has been carried out using X-ray reflection data 2.1 A resolution, resulting anR-factor 19.5%. Standard deviations were estimated from normal matrix. The results show that translational mean-square nearly all are significant at this resolution. However libration only when have least four turns. Screw-rotation tensor values cannot be determined
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