RADDOSE-3D: time- and space-resolved modelling of dose in macromolecular crystallography

被引：200

作者：

Zeldin, Oliver B. ^{[1
]}

Gerstel, Markus ^{[1
]}

Garman, Elspeth F. ^{[1
]}

机构：

[1] Univ Oxford, Dept Biochem, Lab Mol Biophys, Oxford OX1 3QU, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2013年 / 46卷

关键词：

RADIATION-DAMAGE; PROTEIN CRYSTALS; COLLECTION;

D O I：

10.1107/S0021889813011461

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

RADDOSE-3D allows the macroscopic modelling of an X-ray diffraction experiment for the purpose of better predicting radiation-damage progression. The distribution of dose within the crystal volume is calculated for a number of iterations in small angular steps across one or more data collection wedges, providing a time-resolved picture of the dose state of the crystal. The code is highly modular so that future contributions from the community can be easily integrated into it, in particular to incorporate online methods for determining the shape of macromolecular crystals and better protocols for imaging real experimental X-ray beam profiles.

引用

页码：1225 / 1230

页数：6

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