PubReading [307] - Comparison of X-ray and NMR Structures- Is There a Systematic Difference in Residue Contacts between X-ray- and NMR-Resolved Protein Structures? - S. Garbuzynskiy, O. Galzitskaya et al.

We have compared structures of 78 proteins determined by both NMR and X-ray methods. It is shown that X-ray and NMR structures of the same protein have more differences than various X-ray structures obtained for the protein, and even more than various NMR structures of the protein. X-ray and NMR structures of 18 of these 78 proteins have obvious large-scale structural differences that seem to reflect a difference of crystal and solution structures. The other 60 pairs of structures have only small-scale differences comparable with differences between various X-ray or various NMR structures of a protein; we have analyzed these structures more attentively. One of the main differences between NMR and X-ray structures concerns the number of contacts per residue: NMR s ...