fibro - Experimental phasing with SHELIXIR -

Settings:

Status: finished.
Input files: /people/kolenko/project/baSHELiXir/fibro-sad.sca
Bravais type:
Unit cell parameters: 37.86 37.86 108.42 90 90 90
Wavelength: 1.54
Atoms to be found: 10 S
Number of trials: 10000
ShelxE parameters: " -a20 -h -z -q -m20 -e1.2 "
Screening solvent: min 20, max 50, steps 1

- P41212 -

Trial in space group P41212

ShelxC

ShelxC input file - ShelxC logfile

Current resolution is: 999 2.5

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.