Correlated Phasing of Multiple Isomorphous Replacement Data
نویسندگان
چکیده
منابع مشابه
Correlated phasing of multiple isomorphous replacement data.
Substantial highly correlated differences sometimes exist between a series of heavy-atom derivatives of a macromolecule and the native structure. Use of such a series of derivatives for phase determination by multiple isomorphous replacement (MIR) has been difficult because MIR analysis has treated errors as independent. A simple Bayesian approach has been used to derive probability distributio...
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A framework analogous to that used for the analysis of data in the method of isomorphous replacement is applied to the analysis of multi-wavelength anomalous-diffraction (MAD) data. The present method is advantageous in that refinement of parameters describing the anomalously scattering atoms in the structure can be carried out using nearly all the data, and in that phase information can be rea...
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Probabilistic methods involving maximum-likelihood parameter estimation have become a powerful tool in computational crystallography. At the centre of these methods are the relevant probability distributions. Here, equations are developed based on the complex multivariate normal distribution that generalize the distributions currently used in maximum-likelihood model and heavy-atom refinement. ...
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Serial femtosecond crystallography (SFX) with X-ray free electron lasers (XFELs) holds great potential for structure determination of challenging proteins that are not amenable to producing large well diffracting crystals. Efficient de novo phasing methods are highly demanding and as such most SFX structures have been determined by molecular replacement methods. Here we employed single isomorph...
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A Bayesian treatment for phase calculation in the multiwavelength anomalous diffraction (MAD) technique is presented. This approach explicitly treats effects of errors correlated among measurements at different wavelengths and between Bijvoet pairs. The resulting method, which is called Bayesian correlated MAD phasing, gives proper statistical consideration to all data and does not give special...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 1996
ISSN: 0907-4449
DOI: 10.1107/s0907444996000832