Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful
methods to determine three-dimensional macromolecular structures, which are required to …

X-ray crystallography is a critical tool in the study of biological systems. It is able to provide
information that has been a prerequisite to understanding the fundamentals of life. It is also a …

Macromolecular X-ray crystallography is routinely applied to understand biological processes
at a molecular level. However, significant time and effort are still required to solve and …

… j, U local,i and U local,j are the corresponding isotropic ADPs and p and q are empirical
constants. By default, R, p and q are fixed at empirically derived values of 5.0 Å, 1.69 and 1.03, …

This article describes the implementation of real-space refinement in the phenix.real_space_refine
program from the PHENIX suite. The use of a simplified refinement target function …

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure
refinement and density modification using RESOLVE model building, RESOLVE statistical …

… probability of r 2 MODEL [p o (r 2 MODEL )] multiplied by the conditional probability [p(skew|r
2 … We calculated the conditional probability p(skew|r 2 MODEL ) in (7a [link] ) from the joint …

Significant time and effort are often required to solve and complete a macromolecular crystal
structure. The development of automated computational methods for the analysis, solution, …

Recent advances in the field of electron cryomicroscopy (cryo-EM) have resulted in a rapidly
increasing number of atomic models of biomacromolecules that have been solved using …

… These structure factors are then added together, scaled to F obs as described in Afonine
et al. (2013 [Afonine, PV, Grosse-Kunstleve, RW, Adams, PD & Urzhumtsev, A. (2013). Acta …