STRATEGY CALCULATION FOR PHASING MACROMOLECULAR CRYSTAL STRUCTURES UNDER RADIATI

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。列出的机构是 中心，不一定是研究者的机构。 在软件包Web-Ice中实现的自动化策略计算已经被调整以提供用于MAD和SAD实验的策略，该策略遵循先前公布的指南，使辐射损伤对相的影响最小化[A Gonzalez，J. Synchr.太棒了，14，43（2007）]。 Web-Ice计算在从晶体衍射分析确定的phi范围和曝光时间的能量（或能量，在MAD实验的情况下）下吸收的剂量。当曝光时间超过15 MGy时，程序自动选择双波长MAD数据收集，SAD和MAD实验默认选择楔形数据收集。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The automated strategy calculation implemented in the software package Web-Ice has been adapted to provide a strategy for MAD and SAD experiments that minimizes the effects of radiation damage on the phases, following the guideline published earlier [A Gonzalez, J. Synchr. Rad.,14, 43 (2007)]. Web-Ice calculates the dose absorbed at the energy (or energies, in the case of MAD experiments) for the phi range and exposure time determined from the analysis of the crystal diffraction. The program automatically opts for a two-wavelength MAD data collection when the exposure time exceeds 15 MGy, and data collection in wedges is chosen by default for both SAD and MAD experiments.