منابع مشابه
Direct-method-aided phasing of MAD data.
The direct methods of breaking the phase ambiguity intrinsic in one-wavelength anomalous scattering (OAS) data and MAD phasing are powerful methods in their own rights. In a different context, in addition to their success in phasing OAS data, direct methods can also be useful in the treatment of MAD data. The idea has been tested with the MAD data at 2.5 A resolution from the protein human aden...
متن کاملBayesian correlated MAD phasing.
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...
متن کاملMAD phasing with krypton.
Experiments demonstrating the feasibility of Kr-edge MAD on frozen crystals as a routine method for structure determination are reported. Approximately 50% of protein crystals can be successfully derivatized by pressurization with the noble gases xenon or krypton. While Xe has produced many useful derivatives for MIR phasing over the last several years, the Xe edges (K edge = 34.6 keV, L(I) = 5...
متن کاملMAD phasing: Bayesian estimates of F(A).
A Bayesian approach is applied to the calculation of Patterson functions and cross-Fourier maps in the analysis of multi-wavelength anomalous-diffraction (MAD) data. This procedure explicitly incorporates information available a priori on the likely magnitudes of partial structure factors (F(A)) corresponding to the anomalously scattering atoms, uses weighted-average estimates of F(A), and inco...
متن کاملSolving non-periodic structures using direct methods: phasing diffuse scattering.
The problem of reconstructing the charge density of a non-periodic sample from its diffuse X-ray scattering is considered. For a sample known to be isolated, an artificial superlattice may be assumed and the numerical direct methods of crystallography applied to the continuous distribution of diffuse scattering in order to solve the phase problem. This method is applied to simulated soft-X-ray ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2002
ISSN: 0108-7673
DOI: 10.1107/s0108767302088190