RONG hui Rong schrieb:
Dear all,I am solving a structure containing 2 heterodimers in one ASM. First, got the solution by MR( 11-3.6Å, modified model template with Rfac and Rfree 47% and 48%,respectively). After some model building by hand in terms of 2mFo-DFc map bearing 0.41 for Rfac and 0.42 for Rfree, except molecule 1,2 and 3 fitting the 2mFo-DFc map well , the 4th molecule presenting poor, however, the 4th molecule fit the mFo map well( of course, another 3 mols fit well). After model building by hand based on the mFo map coupled with a cycle of simulating and minimizing, it produced poor maps (2mFo-DFc as well as mFo, almost main chain broken, disorderly) for mol 4 except molecule 1,2 and 3 fitting the 2mFo-DFc as well as mFo map well and just a little decreasing on Rfac and Rfree. How can I do? Can anybody give me some inspiration? Many Thanks! SCL
Dear RONG hui Rong, some inspiration can hopefully be obtained from the CCP4 wiki, in particular see http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Refinement and the web services collected at http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Crystallography#Web_services HTH, Kay -- Kay Diederichs http://strucbio.biologie.uni-konstanz.de email: [email protected] Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universitaet Konstanz, Box M647, D-78457 Konstanz
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