iNEXT Discovery-Instruct ESRF-ERIC; Structural biology for translational research and discovery.

The aim of this proposal is to provide user access to automated protein-to-structure and fragment screening pipelines based on the combination of EMBL HTX lab services and CrystalDirect technology and automated data collection at ESRF’s MX beamlines. Access modalities will include 1) Online-Crystallography (Protein-to-Structure pipeline) 2) Large-Scale ligand and Fragment Screening and 3) new Plate-to-beam data collection modalities enabled by the integration of CrystalDirect at MASSIF1. User access to these modalities will require competitive application and peer-review through the E.C. funded iNEXT Discovery and Instruct-ERIC consortia. Moreover, new approaches for high density ligand screening will be implemented and the experimental opportunities enabled by the Integration of CrystalDirect at the MASSIF-1 station will be further developed. This work will be carried out in the context of international collaborative projects.

本提案旨在为用户提供基于欧洲分子生物学实验室（EMBL）HTX实验室服务、CrystalDirect技术，以及欧洲同步辐射装置（ESRF）MX光束线自动化数据采集相结合的自动化蛋白质结构解析与片段筛选流程。该服务的访问模式包含以下三类：1）在线晶体学（蛋白质结构解析流程）；2）大规模配体与片段筛选；3）依托MASSIF-1束线站集成CrystalDirect技术实现的新型样品板-光束线数据采集模式。用户若要使用上述服务模式，需通过欧盟委员会（E.C.）资助的iNEXT Discovery与Instruct-ERIC联合研究机构开展竞争性申请并通过同行评审。此外，本项目还将落地高密度配体筛选的全新方案，并进一步拓展在MASSIF-1束线站集成CrystalDirect技术所带来的实验研究机遇。本工作将依托国际合作项目框架开展实施。