[sharp-discuss] Problems with - Matthews Coefficient - auto SHARP

Cristiane Guzzo crisguzzo at gmail.com
Thu Jun 5 15:53:02 UTC 2008


Hi,

The auto-sharp stop to run in:
4. Matthews Coefficient
(explanation)<Javascript:ManualWindow=window.open('/manual/autoSHARP3.html#getinfoMatthews','ManualWindow');ManualWindow.focus();>

 *NOTE   * : volume of unit cell for reference data set = 1323062
           Å3

  *NOTE   * : we will only look at Matthews Parameters in the range 1.45 - 6.15.
           This corresponds to a range of solvent content from 15.2 to 80.0 %.

      # of molecules/asuVmsolvent content      23.9380.688      32.6250.531
     41.9690.375      51.5750.219

 *NOTE   *   : with a molecular weight of 28000 Da and 3 molecules the solvent
           content would be ~ 0.531 - this doesn't take ordered waters into
           account (and might therefore differ from the value reported above).

  *NOTE   *   : updating number of residues (252) and molecular weight
(28000 Da)

  *NOTE   * : we're going to re-calculate Wilson based scale and temperature
           factor, since our estimate of the number of molecules in the
           asymmetric unit has changed

I do not know what is going on, someone could help me?

Thanks,
Cris
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