Re: [ccp4bb] Distinguishing between P6(5)22 and P6(1)22

Rafael Couñago wrote: Hi, I am in doubt between the enamtiomorph space groups, p6522 and p6122. Is there a way to distinguish the correct one in the absence of a molecular replacement model? Cheers. Rafael. You cannot distinguish by absences. How do you plan to phase? I would say choose o

[ccp4bb] Distinguishing between P6(5)22 and P6(1)22

Hi, I am in doubt between the enamtiomorph space groups, p6522 and p6122. Is there a way to distinguish the correct one in the absence of a molecular replacement model? Cheers. Rafael.

[ccp4bb] purchasing heavy atom clusters

Hi everybody, Does anyone know a place to order heavy atom clusters, say with >=6 heavy atoms, in the US, preferably? Except for the Ta6Br14 cluster (through Mitegen in the US), I don't know a good place to buy them (we don't heavy any friends in an inorganic chemistry lab, and I already have

[ccp4bb] FW: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections.

Dear ALL: Thanks a lot for the valuable guidance. Here are some updates of my problem. The current model is 100% complete now. The two good molecules fit into the density very well. I am currently using P2221 space group. I split the data according to suggestions I got using mtzutils

[ccp4bb] theta

A trivial question about terms. What should be called "scattering angle" in Bragg's low: theta or 2*theta ? In my view, the "scattering" angle is 2*theta (the angle between the incident and the scattering directions), while theta is the "reflection" angle (the angle between the incident or diffra

[ccp4bb] Postdoc Position in Structural Biology of Membrane Proteins

Postdoc Position in Structural Biology of Membrane Proteins A postdoc position is immediately available in Skirball Institute, New York University School of Medicine, to study the mechanism of membrane transporters using X-ray crystallography in combination with various biochemical techniques (

[ccp4bb] Cryoprotectant for jaffamine - summary

Hi all, Thanks for the reply. I have ultimately used 15% glycerol as cryo. It worked well. I referred to this paper McFerrin and Snell, Cryoprotectant quantification J. Appl. Cryst. (2002). 35, 538±545. Now setting up grid with different concentrations of jeffamine. Arpita Below is a summary

Re: [ccp4bb] "child process exited abnormally" with Shelx in CCP4

Dear Roberto, SHELXS is obsolete, you should use SHELXD to find heavy atoms. If CCP4 still has problems, it is very easy to run SHELXC/D/E from a command line or with HKL2MAP. Best wishes, George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4,

Re: [ccp4bb] electron density slabs

Slabs are almost always due to rogue huge reflection(s). If you run mtzdump on the refmac_output.mtz you will find the maximum value and average value of each column. If you run fft hklin refmac_output.mtz LABI F1=FWT PHI=PHWT then the log file gives you the indices of the largest reflection

[ccp4bb] Fwd: [ccp4bb] electron density slabs

This could be due to biscuit contamination of your protein - did you eat cake before setting up your crystallisation drops?Alternatively it could be a Fourier ripple - a very strong 5.4 Å resolution 00l reflection which is not correctPoulBegin forwarded message:From: hayato Jumonji

[ccp4bb] electron density slabs

Dear all, I've phased 3 wavelength SeMet dataset with SHELX and the resulting mtz on Coot shows ~5.4 A apart slabs in water channel. I've captured part of the electron density at 0.4sigma. The slabs appear through out the electron density and parallel to AB plane (space group P21212). Most of the

[ccp4bb] "child process exited abnormally" with Shelx in CCP4

Dear All, I have the following problem with CCP4 6.1.2 on Mac (OSX 10.5.8, Mac Pro 2 x Quad-Core Intel Xeon) when running ShelxS - heavy atom search: #CCP4I TERMINATION STATUS 0 "child process exited abnormally" Thank you for help, Bye Roberto Battistutta Associate Professor Department of C