Hi Francis,
The asymmetric unit volume is approximately proportional to the number
of atoms in your model, the basis for Vm, with some variation due to
solvent content. In turn the number of unique observations at a given
resolution is proportional to asymmetric unit volume. So twice the
numb
Francis,
of course don't know about your sequence, but one normally uses 7-8 atoms
(non-H) per residue...so I tend to think you'll end up with <3000
parameters (of course if you decide to refine individual B-factors, which
would typically make sense for a 2.0A res data set...)
(and then of cou
On Thu, Apr 23, 2009 at 2:54 PM, Francis E Reyes wrote:
> It seems I have a case where I have 5595 reflections but my protein is
> about 102 residues. With a mean atom / residue * 4 parameters for each atom
> I get about 7833 parameters. So it seems that I have a observation :
> parameter ratio
Use less parameters:
- TLS or group iso ADP with one-two ADP per residue (or better both, as
available in phenix.refine);
- torsion angle space instead of individual xyz;
...
Pavel.
On 4/23/09 2:54 PM, Francis E Reyes wrote:
All
It seems I have a case where I have 5595 reflections but my p
All
It seems I have a case where I have 5595 reflections but my protein is
about 102 residues. With a mean atom / residue * 4 parameters for
each atom I get about 7833 parameters. So it seems that I have a
observation : parameter ratio < 1. There is only 1 molecular per asu
so there's no
