gere - Experimental phasing with SHELIXIR -

Settings:

Status: finished.
Input files: /people/kolenko/project/baSHELiXir/gere_peak.sca /people/kolenko/project/baSHELiXir/gere_infl.sca /people/kolenko/project/baSHELiXir/gere_hrem.sca /people/kolenko/project/baSHELiXir/gere_lrem.sca
Bravais type: mC
Unit cell parameters: 109.020 61.750 71.740 90.000 97.080 90.000
Wavelength: 0.98
Atoms to be found: 15 Se
Number of trials: 1000
ShelxE parameters: " -m10 -a5 -h -e1.2 -z "
Screening solvent: min 20, max 80, steps 5

- C2 -

Trial in space group C2

ShelxC

ShelxC input file - ShelxC logfile

Current resolution is: 999 3.3

ShelxD

ShelxD input file - ShelxD logfile


Graph PATFOM vs. CCall

ShelxE - screening the solvent content




References

P. Kolenko (2019). baSHELiXir: A Bash Script for Automated Experimental Phasing Using Shelx C/D/E. Chemicke listy, 113, 610-614.

Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful.