• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

Structure solution by minimal-function phase refinement and Fourier filtering. II. Implementation and applications.

作者信息

Weeks C M, DeTitta G T, Hauptman H A, Thuman P, Miller R

机构信息

Medical Foundation of Buffalo, Inc., NY 14203.

出版信息

Acta Crystallogr A. 1994 Mar 1;50 ( Pt 2):210-20. doi: 10.1107/s0108767393008992.

DOI:10.1107/s0108767393008992
PMID:8166952
Abstract

The minimal function, R(psi), has been used to provide the basis for a new computer-intensive direct-methods procedure that shows potential for providing fully automatic routine solutions for structures in the 200-400 atom range. This procedure, which has been called shake-and-bake, is an iterative process in which real-space filtering is alternated with phase refinement using a technique that reduces the value of R(psi). It has been successfully tested using experimental data for a dozen known structures ranging in size from 25 to 317 atoms and crystallizing in a variety of space groups. The details of this procedure, the parameters used and the results of these applications are described.

摘要

相似文献

1
Structure solution by minimal-function phase refinement and Fourier filtering. II. Implementation and applications.
Acta Crystallogr A. 1994 Mar 1;50 ( Pt 2):210-20. doi: 10.1107/s0108767393008992.
2
Incorporating tangent refinement in the Shake-and-Bake formalism.
Acta Crystallogr A. 1997 Jul 1;53 ( Pt 4):436-44. doi: 10.1107/s0108767397003279.
3
Sine-enhanced Shake-and-Bake: the theoretical basis and applications to Se-atom substructures.正弦增强的摇床烘焙法：硒原子子结构的理论基础及应用
Acta Crystallogr D Biol Crystallogr. 2002 Jan;58(Pt 1):90-6. doi: 10.1107/s0907444901017668. Epub 2001 Dec 21.
4
Application of the minimal principle to peptide structures.最小原理在肽结构中的应用。
Acta Crystallogr D Biol Crystallogr. 1993 Jan 1;49(Pt 1):179-81. doi: 10.1107/S090744499200876X.
5
Now we're cooking: new successes for shake-and-bake.
Structure. 1997 Apr 15;5(4):469-72. doi: 10.1016/s0969-2126(97)00203-7.
6
Exponential Shake-and-Bake: theoretical basis and applications.指数型摇床烘焙法：理论基础与应用
Acta Crystallogr A. 1999 Sep 1;55 ( Pt 5):891-900. doi: 10.1107/s0108767399003918.
7
Structure solution by minimal-function phase refinement and Fourier filtering. I. Theoretical basis.通过最小函数相位细化和傅里叶滤波进行结构解析。I. 理论基础。
Acta Crystallogr A. 1994 Mar 1;50 ( Pt 2):203-10. doi: 10.1107/s0108767393008980.
8
Ill-conditioned Shake-and-Bake: the trap of the false minimum.
Acta Crystallogr A. 2000 Mar;56 ( Pt 2):112-8. doi: 10.1107/s0108767399014786.
9
Crambin: a direct solution for a 400-atom structure.克拉宾：一种400原子结构的直接解决方案。
Acta Crystallogr D Biol Crystallogr. 1995 Jan 1;51(Pt 1):33-8. doi: 10.1107/S090744499400925X.
10
Optimizing statistical Shake-and-Bake for Se-atom substructure determination.优化用于硒原子子结构确定的统计摇晃烘焙法。
Acta Crystallogr D Biol Crystallogr. 2005 Jul;61(Pt 7):976-81. doi: 10.1107/S0907444905011558. Epub 2005 Jun 24.

引用本文的文献

1
The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence.求解非中心对称晶体结构的相种子法：人工智能面临的一项挑战。
Acta Crystallogr A Found Adv. 2025 May 1;81(Pt 3):188-201. doi: 10.1107/S2053273325002797. Epub 2025 Apr 17.
2
The Automatic Solution of Macromolecular Crystal Structures via Molecular Replacement Techniques: REMO22 and Its Pipeline.通过分子置换技术自动解析大分子晶体结构：REMO22 及其流水线。
Int J Mol Sci. 2023 Mar 23;24(7):6070. doi: 10.3390/ijms24076070.
3
Crystal structure of a rigid four-spectrin-repeat fragment of the human desmoplakin plakin domain.
人桥蛋白 plakinin 结构域刚性四 spectrin 重复片段的晶体结构。
J Mol Biol. 2011 Jun 24;409(5):800-12. doi: 10.1016/j.jmb.2011.04.046. Epub 2011 Apr 22.
4
SnB version 2.3: triplet sieve phasing for centrosymmetric structures.SnB版本2.3：用于中心对称结构的三重筛相位法。
J Appl Crystallogr. 2008;41(Pt 3):644-646. doi: 10.1107/S0021889808007966.
5
Crystal structure of the flavoprotein ArsH from Sinorhizobium meliloti.苜蓿中华根瘤菌黄素蛋白ArsH的晶体结构
FEBS Lett. 2007 Aug 21;581(21):3996-4000. doi: 10.1016/j.febslet.2007.07.039. Epub 2007 Jul 25.
6
Blocking S-adenosylmethionine synthesis in yeast allows selenomethionine incorporation and multiwavelength anomalous dispersion phasing.在酵母中阻断S-腺苷甲硫氨酸的合成可使硒代甲硫氨酸掺入并实现多波长反常散射相位分析。
Proc Natl Acad Sci U S A. 2007 Apr 17;104(16):6678-83. doi: 10.1073/pnas.0610337104. Epub 2007 Apr 10.
7
Crystal structure of the Lactococcus lactis formamidopyrimidine-DNA glycosylase bound to an abasic site analogue-containing DNA.与含无碱基位点类似物的DNA结合的乳酸乳球菌甲酰胺嘧啶-DNA糖基化酶的晶体结构。
EMBO J. 2002 Jun 17;21(12):2854-65. doi: 10.1093/emboj/cdf304.
8
The Shake-and-Bake structure determination of triclinic lysozyme.三斜晶系溶菌酶的摇床烘焙结构测定
Proc Natl Acad Sci U S A. 1998 Aug 4;95(16):9284-9. doi: 10.1073/pnas.95.16.9284.