Evolution-Guided Engineering of Trans-Acyltransferase Polyketide Synthases

Data underlying the manuscript 'Evolution-Guided Engineering of <em>Trans</em>-Acyltransferase Polyketide Synthases' by Mabesoone, Leopold-Messer and Minas et al. The repository contains: Sequencing data - Genbanks files of construct designs, ab1 and fasta files for Sanger sequencing. For whole plasmid sequencing, fasta, annotated GenBank files, overviews of sequencing statistics and fastq files for selected plasmids, for which fastq files were provided by the sequencing service, are provided. NMR data - raw data and MestReNova files HPLC-MS data - Raw data collected on Thermo-Fisher instruments. This data can be analyzed with the Xcalibur software suite. The mzXML data can be analyzed with the Python scripts provided in the scripts folder to generate the images shown in the SI. The data collected for Bacillus and Serratia is MS1 data. The data collected for Gynuella also contains MS-MS data. SCA data - Python scripts, GenBank files and produced data underlying the SCA.本数据集支撑Mabesoone、Leopold-Messer与Minas等人发表的题为《进化引导工程化反式酰基转移酶聚酮合酶（Trans-Acyltransferase Polyketide Synthases）》的研究手稿。本数据集仓库包含以下内容： 测序数据：涵盖构建体设计的基因库（GenBank）文件、用于桑格测序（Sanger sequencing）的ab1及fasta格式文件。针对全质粒测序，仓库提供了选定质粒的fasta格式文件、注释型基因库（GenBank）文件、测序统计概览，以及由测序服务机构提供的fastq格式文件。 核磁共振（Nuclear Magnetic Resonance, NMR）数据：原始数据及MestReNova软件配套文件。 高效液相色谱-质谱联用（High Performance Liquid Chromatography-Mass Spectrometry, HPLC-MS）数据：采用赛默飞世尔（Thermo-Fisher）仪器采集的原始数据，可通过Xcalibur软件套件进行分析。其中mzXML格式数据可通过脚本文件夹内提供的Python脚本处理，以生成补充材料（Supporting Information, SI）中展示的图像。针对芽孢杆菌属（Bacillus）与沙雷氏菌属（Serratia）采集的数据为MS1级数据；针对格努氏菌属（Gynuella）采集的数据则同时包含MS1与MS-MS级数据。 结构耦合分析（Structural Coupling Analysis, SCA）数据：相关Python脚本、基因库（GenBank）文件，以及支撑SCA分析的生成结果数据。