WT and NitroTyr Calmodulin Mass Spectrometry Data

Purified CaM samples were diluted to a concentration of 10 μM, desalted on Millipore C4 zip tips, and analyzed using an FT LTQ mass spectrometer. Samples included WT-CaM and nitroTyr-containing CaM. Spectra were collected using Tune-Plus (Thermo, v. 2.2) page of Xcalibur (Thermo, v. 2.0.5) using parameters described in (Rhoads, T. W., Williams, J. R., Lopez, N. I., Morre, J. T., Bradford, C. S., and Beckman, J. S. (2013) Using theoretical protein isotopic distributions to parse small-mass-difference post-translational modifications via mass spectrometry. J Am Soc Mass Spectrom 24, 115-124). Spectra were averaged over the three minutes CaM eluted from the ZipTip using the Qual Browser (Thermo, v. 2.0) The data were exported as text files containing two columns of m/z versus intensity to be analyzed by custom programs written in MatLab (Rhoads et al., 2013). This data includes the raw m/z and deconvoluted data in tabs for the WT-, nitroTyr99-, and nitroTyr138-CaM.<br>

将纯化的钙调蛋白（Calmodulin, CaM）样品稀释至10 μM浓度，经密理博（Millipore）C4 ZipTip微层析吸头脱盐处理后，使用傅里叶变换LTQ（FT LTQ）质谱仪进行分析。本次分析的样品包含野生型钙调蛋白（WT-CaM）以及含硝基化酪氨酸的钙调蛋白（nitroTyr-containing CaM）。质谱谱图通过Thermo公司Xcalibur软件（版本2.0.5）的Tune-Plus操作界面（版本2.2）采集，采集参数参照文献（Rhoads, T. W., Williams, J. R., Lopez, N. I., Morre, J. T., Bradford, C. S. & Beckman, J. S. 2013. 利用理论蛋白质同位素分布通过质谱解析小质量差异翻译后修饰. 《美国质谱学会杂志》, 24, 115-124）中的描述。利用Qual Browser软件（Thermo, 版本2.0）对钙调蛋白从ZipTip洗脱阶段的3分钟内采集的所有质谱谱图进行平均叠加处理。数据以两列文本文件形式导出，分别为质荷比（m/z）与强度值，用于后续由MATLAB编写的自定义程序分析（Rhoads et al., 2013）。本数据集包含野生型钙调蛋白、第99位酪氨酸硝基化钙调蛋白以及第138位酪氨酸硝基化钙调蛋白的原始质荷比数据与去卷积后的数据，均以表格形式存储。