Re: [ccp4bb] SeMet Peak wavelength and f_prime and f_doubleprime

2009-10-31 Thread Jürgen Bosch
Hi James, have a look at the program CROSSEC: http://www.ccp4.ac.uk/html/crossec.html should be straightforward to use. However you are at an advantage by actually measuring the peak, as a) the beamline could be misaligned and b) the chemical environment of your crystal might influence your

[ccp4bb] Difference in results between v6.1.2 and v6.1.1

2009-10-31 Thread Peter Grey
Dear CCP4 developers, I ran the same DM script (solvent flattening + averaging) in CCP4 6.1.2 and CCP4 6.1.1. There are differences in the results - not huge but significant. Could you please suggest a possible reason for that ? Thanks a lot, Peter.

Re: [ccp4bb] Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime.

2009-10-31 Thread Alejandro Buschiazzo
Dear James, I believe the best way to go is to actually measure those corrections to the Se atomic scattering factor (during your anomalous diffraction experiment, you probably had a means to measure the fluorescence emitted by your anomalous scatterer(s), during your energy scan, from where

Re: [ccp4bb] Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime.

2009-10-31 Thread Karthik S
This link was posted earlier, perhaps it is the one you were looking for: http://skuld.bmsc.washington.edu/scatter/AS_form.html -- Karthik Graduate Student University of Michigan On Sat, Oct 31, 2009 at 10:44 AM, james09 pruza wrote: > Dea

[ccp4bb] Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime.

2009-10-31 Thread james09 pruza
Dear All, Please suggest the Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime. In one of the journal I got it is 0.97905 A and Phenix manual shows f_prime and f_doubleprime to be -3 and 4 respectively. How can one deduce f_prime and f_doubleprime for any HA at a particula

[ccp4bb] SeMet Peak wavelength and f_prime and f_doubleprime

2009-10-31 Thread james09 pruza
Dear All, Please suggest the Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime. In one of the journal I got it is 0.97905 A and Phenix manual shows f_prime and f_doubleprime to be -3 and 4 respectively. How can one deduce f_prime and f_doubleprime for any HA at a particula

Re: [ccp4bb] how to find missing density or fill gap

2009-10-31 Thread Karthik S
You know the sequence of the target so the missing residues can be built by looking at the difference density. if the protein is phased right by MR then the extra residues if they were actually present (and not clipped off in crystallization) you should see them. coot can be used to visualize and b

[ccp4bb] how to find missing density or fill gap

2009-10-31 Thread rui
Dear All, I have a question about how to find missing density or fill gap. I'm trying to use MR to solve a crystal structure that diffract to 2.6A. The target sequence has extra residues than the template sequence,say from residues 20 to 26. Now how can I insert those extra residues? At this momen