Design of a redox-proficient Escherichia coli for screening terpenoids and modifying cytochrome P450s

20 Terpenoid scaffold.zip: Raw GCMS data for titer comparisons. Required to reproduce Figure 2b. 20 Terpenoid scaffold_representative GCMS.zip: Representative GCMS data for 20 terpenoid scaffolds produced by E. coli MEV15 and 20. Required to reproduce Supplementary Figure 3. Characterization of LRD04 derivatives.zip: Raw NMR and GCMS data for 19 ent-kaurenoid derivatives described in this manuscript. Required to reproduce Supplementary Figures 13-33. LRD production optimization.zip: Raw GCMS data for pLRD construct screening with different IPTG concentration. Required to reproduce Supplementary Tables 9-36. LRD scaffolds.zip: Raw GCMS data for LRD production after optimization. Required to reproduce Figure 5 and Supplementary Tables 9-36. Pathway screening.zip: Raw GCMS data for screening biosynthetic pathways of LRD scaffold paired with 64 CYPs. Each GCMS dataset is consisted of 1 pathway producing only LRD scaffold, 64 pathways producing LRD scaffold and different CYPs, and 2 alkane-series standards acquired before and after analyzing the 65 pathways. Required to reproduce Figure 6 and Supplementary Tables 9-36. Redox array characterization 1.zip: Raw GCMS data for comparison of modified terpenoid production in the presence of different redox enzymes. Required to reproduce Figure 3a. Redox array characterization 1_scaffold.zip: Raw GCMS data for comparison of terpenoid scaffold production in the presence of different redox enzymes. Required to reproduce Supplementary Figure 4. Redox array characterization 2.zip: Raw GCMS data for comparison of modified terpenoid production with or without an additional copy of fldA/fpr. Required to reproduce Figure 3b and Supplementary Figure 5. Terpenoid inducer optimization.zip: Raw LCMS and GCMS data for optimizing 01a and 03a production in E. coli MEV20. Required to reproduce Figure 4 and Supplementary Figures 6 and 7. terpenoids_code.zip: Jupyter Notebook used for analyzing GNN results and metabolomic analysis (also available at https://github.com/gengminlin/GNN-and-Metabolomics-Analysis-for-LRD)20 Terpenoid scaffold.zip：用于滴度比较的原始气相色谱-质谱联用（GCMS）数据，可复现图2b。 20 Terpenoid scaffold_representative GCMS.zip：大肠杆菌（E. coli）MEV15和20菌株所生成的20种萜类骨架的代表性GCMS数据，可复现补充图3。 Characterization of LRD04 derivatives.zip：本文所述19种对映-贝壳杉烷（ent-kaurenoid）衍生物的原始核磁共振波谱（NMR）与GCMS数据，可复现补充图13至33。 LRD production optimization.zip：采用不同异丙基-β-D-硫代半乳糖苷（IPTG）浓度筛选pLRD构建体的原始GCMS数据，可复现补充表9至36。 LRD scaffolds.zip：优化后LRD产物的原始GCMS数据，可复现图5和补充表9至36。 Pathway screening.zip：针对与64种细胞色素P450（CYPs）配对的LRD骨架生物合成通路的原始GCMS数据。每组GCMS数据集包含：仅生成LRD骨架的1条通路、生成LRD骨架与不同CYPs的64条通路，以及分析65条通路前后获取的2份烷烃系列标准品。可复现图6和补充表9至36。 Redox array characterization 1.zip：不同氧化还原酶存在下修饰型萜类产物生成情况对比的原始GCMS数据，可复现图3a。 Redox array characterization 1_scaffold.zip：不同氧化还原酶存在下萜类骨架生成情况对比的原始GCMS数据，可复现补充图4。 Redox array characterization 2.zip：添加或不添加额外拷贝的fldA/fpr基因时，修饰型萜类产物生成情况对比的原始GCMS数据，可复现图3b和补充图5。 Terpenoid inducer optimization.zip：优化大肠杆菌（E. coli）MEV20中01a和03a产物生成的原始液相色谱-质谱联用（LCMS）与GCMS数据，可复现图4和补充图6和7。 terpenoids_code.zip：用于分析图神经网络（GNN）结果与代谢组学分析的Jupyter笔记本（Jupyter Notebook），亦可在https://github.com/gengminlin/GNN-and-Metabolomics-Analysis-for-LRD获取。