title: Crystallographic phasing with NMR models: an envelope approach.
abstract: X-ray crystallography and NMR are complementary tools in structural biology. However, it is often difficult to use NMR structures as search models in molecular replacement (MR) to phase crystallographic data. In this study, a new approach is reported utilizing a molecular envelope of NMR structures for MR phasing with the program FSEARCH at low resolution (about 6 Å). Several targets with both crystallographic and NMR structures available have been tested. FSEARCH was able to find the correct translation and orientation of the search model in the crystallographic unit cell, while conventional MR procedures were unsuccessful.
authors.affiliation: Department of Physiology, University of Hong Kong, Hong Kong, People's Republic of China.
authors.forename: Weizhe
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Institute of Physics, Chinese Academy of Sciences, Beijing 100080, People's Republic of China.
authors.forename: Tao
authors.initials: T
authors.lastname: Zhang
authors.affiliation: Department of Physiology, University of Hong Kong, Hong Kong, People's Republic of China.
authors.forename: Hongmin
authors.initials: H
authors.lastname: Zhang
authors.affiliation: Department of Physiology, University of Hong Kong, Hong Kong, People's Republic of China.
authors.forename: Quan
authors.initials: Q
authors.lastname: Hao
mesh_terms: D018360:Crystallography, X-Ray / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical
keywords: FSEARCH; NMR structures; molecular replacement