Surface-entropy reduction approaches to manipulate crystal forms of beta-ketoacyl acyl carrier protein synthase II from Streptococcus pneumoniae [0.03%]
用于操作肺炎链球菌β-酮酰基乙酰辅酶A合成酶II晶体形式的表面熵减少方法
Gopalakrishnan Parthasarathy,Richard Cummings,Joseph W Becker et al.
Gopalakrishnan Parthasarathy et al.
A series of experiments with beta-ketoacyl acyl carrier protein synthase II (FabF) from Streptococcus pneumonia (spFabF) were undertaken to evaluate the capability of surface-entropy reduction (SER) to manipulate protein crystallization. Pr...
The JCSG MR pipeline: optimized alignments, multiple models and parallel searches [0.03%]
JCSG MR管道：优化的对齐方式、多种模型及并行搜索
Robert Schwarzenbacher,Adam Godzik,Lukasz Jaroszewski
Robert Schwarzenbacher
The success rate of molecular replacement (MR) falls considerably when search models share less than 35% sequence identity with their templates, but can be improved significantly by using fold-recognition methods combined with exhaustive MR...
Fei Long,Alexei A Vagin,Paul Young et al.
Fei Long et al.
The number of macromolecular structures solved and deposited in the Protein Data Bank (PDB) is higher than 40 000. Using this information in macromolecular crystallography (MX) should in principle increase the efficiency of MX structure sol...
Ronan M Keegan,Martyn D Winn
Ronan M Keegan
A novel automation pipeline for macromolecular structure solution by molecular replacement is described. There is a special emphasis on the discovery and preparation of a large number of search models, all of which can be passed to the core...
Kirsty Anne Stewart,David Alexander Robinson,Adrian Jonathan Lapthorn
Kirsty Anne Stewart
Type II dehydroquinase is a small (150-amino-acid) protein which in solution packs together to form a dodecamer with 23 cubic symmetry. In crystals of this protein the symmetry of the biological unit can be coincident with the crystallograp...
Peter H Zwart,Ralf W Grosse-Kunstleve,Andrey A Lebedev et al.
Peter H Zwart et al.
It is not uncommon for protein crystals to crystallize with more than a single molecule per asymmetric unit. When more than a single molecule is present in the asymmetric unit, various pathological situations such as twinning, modulated cry...
Michail N Isupov,Andrey A Lebedev
Michail N Isupov
The efficiency of the cross-rotation function step of molecular replacement (MR) is intrinsically limited as it uses only a fraction of the Patterson vectors. Along with general techniques extending the boundaries of the method, there are a...
Kevin Cowtan
Kevin Cowtan
Molecular replacement is a powerful tool for the location of large models using structure-factor magnitudes alone. When phase information is available, it becomes possible to locate smaller fragments of the structure ranging in size from a ...
From electron microscopy to X-ray crystallography: molecular-replacement case studies [0.03%]
从电子显微镜到X射线晶体学：分子置换案例研究
Yong Xiong
Yong Xiong
Multi-component molecular complexes are increasingly being tackled by structural biology, bringing X-ray crystallography into the purview of electron-microscopy (EM) studies. X-ray crystallography can utilize a low-resolution EM map for str...
Jorge Navaza
Jorge Navaza
Low-resolution electron-microscopy reconstructions can be used as search models in molecular replacement or may be combined with existing monomeric structures in order to produce multimeric models suitable for molecular replacement. The tec...