Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

摘要: The model of pancreatic trypsin inhibitor determined by Huber, Kukla, Rtihlmann, Epp & Formanek [Naturwissenschaften (1970). 57, 389-392] was fitted to an electron-density map 1.9 A resolution calculated with isomorphous-replacement phases application the real-space refinement procedure Diamond [Acta Cryst. (1971). A27, 436-452]. Further done at 1.5 cyclic against maps computed observed structure-factor amplitudes and from preceding model. Five difference Fourier helped correct severe errors in model, locate solvent molecules. After 15 cycles constrained crystallographic R value for all 8079 independent reflexions 0.225. 6893 intensities above 2o" significance level counting statistics within range 7.0 > d> 1-5 0-197. Details refined are presented terms hydrogen bonds conformational angles.