Munich Center for Integrated Protein Science (CIPSM) at Department of Chemie, Technische Universität München (TUM) , Lichtenbergstr. 4, D-85747 Garching, Germany.
J Am Chem Soc. 2015 Jan 28;137(3):1094-100. doi: 10.1021/ja509367q. Epub 2015 Jan 15.
We introduce a labeling scheme for magic angle spinning (MAS) solid-state NMR that is based on deuteration in combination with dilution of the carbon spin system. The labeling strategy achieves spectral editing by simplification of the HαCα and aliphatic side chain spectral region. A reduction in both proton and carbon spin density in combination with fast spinning (≥50 kHz) is essential to retrieve artifact-free (13)C-R1 relaxation data for aliphatic carbons. We obtain good agreement between the NMR experimental data and order parameters extracted from a molecular dynamics (MD) trajectory, which indicates that carbon based relaxation parameters can yield complementary information on protein backbone as well as side chain dynamics.
我们提出了一种基于氘化和碳自旋体系稀释的魔角旋转（MAS）固态 NMR 标记方案。该标记策略通过简化 HαCα 和脂肪侧链谱区实现了光谱编辑。质子和碳自旋密度的降低以及快速旋转（≥50 kHz）对于获得无伪影的（13）C-R1 弛豫数据至关重要。我们获得了 NMR 实验数据和从分子动力学（MD）轨迹中提取的序参数之间的良好一致性，这表明基于碳的弛豫参数可以提供关于蛋白质主链以及侧链动力学的补充信息。
