蛋白晶体学lecture6.ppt

1. Diffraction intensity2. Patterson map Lecture 6 2-1-2006 Calculation of the electron density r(x,y,z) Physical meaning of Fourier synthesis An simple example of Fourier transform Symmetry in diffraction pattern A diffraction pattern possesses at least the same or higher symmetry than the crystal Remember that reciprocal lattice rotates with the crystal itself. All diffraction patterns have a center of symmetry I(h,k,l) = I(-h, -k, -l) These two reflections are called a Friedel pair. From diffraction intensity, we should be able to determine space group symmetry in most cases (symmetry of diffraction pattern, systematic absences) Symmetry in diffraction pattern: a center of symmetry Symmetry in diffraction pattern: a center of symmetry- electron density r is a real quantity Effect of the size of the unit cell on the diffraction intensity Experimental data look like this … Intensity statistics: Rmerge Only a small number of reflections are collected on each photograph To construct the reciprocal space, we need to merge reflections from different frames. Measurement error is quantitatively described by Rmerge Where hkl are miller indices of a particular reflection, and i is the ith measurement of that reflection Rmerge varies from a few percent in low resolution ranges to over thirty percent in high resolution ranges Intensity statistics: what are the important quantities Intensity statistics: Wilson plot After data merging, the first thing to do is to calculate the Wilson plot Wilson provide an estimation of temperature factor Intensity statistics: Wilson plot After data merging, the first thing to do is to calculate the Wilson plot Wilson provide an estimation of temperature factor What is phase problem? The first crystal structure of a protein molecule 1962: Max Ferdinand Perutz and Sir John Cowdery Kendrew win the Nobel Prize in Chemistry for their studies on the structures of globlular proteins. The structure of myoglobin was solved by MIR. Patterso