固定目标连续晶体学的标准描述符。

IF 2.6 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS
Robin L Owen, Daniele de Sanctis, Arwen R Pearson, John H Beale
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引用次数: 0

摘要

固定目标晶体学已成为同步加速器和x射线自由电子激光(XFEL)源上广泛使用的连续晶体学方法。在不同的设施和不同的制造商制定了大量的固定指标,具有不同的特点和尺寸,很少或根本不强调标准化。这些固定目标的设计、形状、制造材料以及孔径和基准的存在与否都有很好的理由,反映了系列实验的多样性。考虑到这一点,设计和制造一个新的标准固定目标将满足所有可能的实验配置,这将是一个西西弗斯的任务。因此,提出了一个简单的标准化描述符来全面描述固定的目标,而不是一个标准化的装置。这个描述符是一个字典,可以被固定目标波束线软件读取,并直接允许从该波束线的新固定目标收集数据。因此,描述符可以更容易地在源之间交换固定目标,并促进吸收新的固定目标,从而使光束线、用户和制造商受益。2023年1月,来自多个同步加速器和XFEL源的代表在汉堡举行的会议上首次提出了这一描述,并在会议之后得到了发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A standard descriptor for fixed-target serial crystallography.

Fixed-target crystallography has become a widely used approach for serial crystallography at both synchrotron and X-ray free-electron laser (XFEL) sources. A plethora of fixed targets have been developed at different facilities and by various manufacturers, with different characteristics and dimensions and with little or no emphasis on standardization. These many fixed targets have good reasons for their design, shapes, fabrication materials and the presence or absence of apertures and fiducials, reflecting the diversity of serial experiments. Given this, it would be a Sisyphean task to design and manufacture a new standard fixed target that would satisfy all possible experimental configurations. Therefore, a simple standardized descriptor to fully describe fixed targets is proposed rather than a standardized device. This descriptor is a dictionary that could be read by fixed-target beamline software and straightforwardly allow data collection from fixed targets new to that beamline. The descriptor would therefore allow a much easier exchange of fixed targets between sources and facilitate the uptake of new fixed targets, benefiting beamlines, users and manufacturers. This descriptor was first presented at, and was developed following, a meeting of representatives from multiple synchrotron and XFEL sources in Hamburg in January 2023.

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来源期刊
Acta Crystallographica. Section D, Structural Biology
Acta Crystallographica. Section D, Structural Biology BIOCHEMICAL RESEARCH METHODSBIOCHEMISTRY &-BIOCHEMISTRY & MOLECULAR BIOLOGY
CiteScore
4.50
自引率
13.60%
发文量
216
期刊介绍: Acta Crystallographica Section D welcomes the submission of articles covering any aspect of structural biology, with a particular emphasis on the structures of biological macromolecules or the methods used to determine them. Reports on new structures of biological importance may address the smallest macromolecules to the largest complex molecular machines. These structures may have been determined using any structural biology technique including crystallography, NMR, cryoEM and/or other techniques. The key criterion is that such articles must present significant new insights into biological, chemical or medical sciences. The inclusion of complementary data that support the conclusions drawn from the structural studies (such as binding studies, mass spectrometry, enzyme assays, or analysis of mutants or other modified forms of biological macromolecule) is encouraged. Methods articles may include new approaches to any aspect of biological structure determination or structure analysis but will only be accepted where they focus on new methods that are demonstrated to be of general applicability and importance to structural biology. Articles describing particularly difficult problems in structural biology are also welcomed, if the analysis would provide useful insights to others facing similar problems.
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