Native SAD Structure Solution from Merohedrally Twinned Data
نویسندگان
چکیده
منابع مشابه
Desipramine hydrochloride: a non-merohedrally twinned structure
The title compound, C(18)H(23)N(2) (+)·Cl(-), is a non-merohedrally twinned salt [domains 0.9288 (3) and 0.0712 (3)] which crystallizes with four independent cation-anion pairs in the asymmetric unit. The seven-membered ring in each of the cations adopts a boat conformation, thus creating a butterfly effect within the ring system. The average value of the dihedral angle between the two aromatic...
متن کاملMIR phasing using merohedrally twinned crystals.
Merohedral twinning is a crystal-growth disorder that seriously hinders the determination of macromolecular crystal structures by isomorphous replacement. The strategies used in the structures solved so far are discussed. Several methods can be used to determine the extent of twinning, the twin fraction and to detwin the data. Accurate determination of the twin fraction by analysing heavy-atom ...
متن کاملSr5(VIVOF5)3F(H2O)3 refined from a non-merohedrally twinned crystal
The title compound, penta-strontium tris-[penta-fluorido-oxido-vanadate(IV)] fluoride trihydrate, was obtained under hydro-thermal conditions. Its crystal structure has been refined from intensity data of a non-merohedrally twinned crystal. Two domains in almost equal proportions are related by a -180° rotation along the reciprocal [101]* vector. The structure may be considered as a derivative ...
متن کاملNative SAD is maturing.
Native SAD phasing uses the anomalous scattering signal of light atoms in the crystalline, native samples of macromolecules collected from single-wavelength X-ray diffraction experiments. These atoms include sodium, magnesium, phosphorus, sulfur, chlorine, potassium and calcium. Native SAD phasing is challenging and is critically dependent on the collection of accurate data. Over the past five ...
متن کاملSolution of the structure of a calmodulin-peptide complex in a novel configuration from a variably twinned data set.
Structure determination of conformationally variable proteins can prove challenging even when many possible molecular-replacement (MR) search models of high sequence similarity are available. Calmodulin (CaM) is perhaps the best-studied archetype of these flexible proteins: while there are currently ∼450 structures of significant sequence similarity available in the Protein Data Bank (PDB), nov...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314093851