STRATEGY CALCULATION FOR PHASING MACROMOLECULAR CRYSTAL STRUCTURES UNDER RADIATI

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 在软件包Web-Ice中实现的自动策略计算已被适应，以提供一种策略，用于MAD和SAD实验，根据早些时候发表的指南[A Gonzalez，J.Synchr]，将辐射损害对各阶段的影响降至最低。14、43(2007年)]。WEB-Ice计算根据晶体衍射分析确定的phi范围和曝光时间在能量(或在MAD实验的情况下，能量)处吸收的剂量。当曝光时间超过15mGy时，程序自动选择双波长MAD数据收集，默认情况下，SAD和MAD实验都选择楔形数据收集。

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.