title: The estimate of the protein phases for the SAD case: a simplified formula.
abstract: The probabilistic formula derived via the rigorous method of the joint probability distribution function to estimate protein phases in the single-wavelength anomalous diffraction (SAD) case [Giacovazzo & Siliqi (2001). Acta Cryst. A57, 40-46] has been revised. A simple but equally effective formula is provided, allowing an easy interpretation of the role of the structural parameters accessible via a diffraction experiment. In particular, the formula is able to simultaneously combine the contribution arising from the anomalous differences with a Sim-like contribution, and also to take the errors into account.
authors.affiliation: Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Via Orabona 4, 70125 Bari, Italy. carmelo.giacovazzo@icr.cnr.it
authors.forename: Carmelo
authors.initials: C
authors.lastname: Giacovazzo
authors.forename: Massimo
authors.initials: M
authors.lastname: Ladisa
authors.forename: Dritan
authors.initials: D
authors.lastname: Siliqi
mesh_terms: D008958:Models, Molecular; D015233:Models, Statistical; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012680:Sensitivity and Specificity; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D011506:Proteins