A little bit confused about the 30 molecules. Superimposed models from the nmr
structure in
one or two copies ofone ensemble?
Anyway, Arp-warp just uses the model to calculate phases for an initial map.
How about forgo the model and give it a map with phases from the successful
phaser run?
It looks like you can do that by choosing arp-warp option "model from experimental
phases"
and select the output mtz from phaser. i just tried setting up such a run and
Arp-warp
automatically chooses Fbest,Phi+FOM as F_project, PHIC, and FOM; and FP+SIGFP
as F_project, SigF_project.
Should work!
eab
On 06/29/2015 03:10 PM, xaravich ivan wrote:
Hi everyone,
I think I have finally got a solution in Phaser (screen shot attached) as the
TFZ is 10.
However the solution PDB has 30 molecules in it as the search model was an NMR
solution.
As I have 0.944 Angs resolution data pretty complete, I thought of building the
initial model in ArpWarp.
I prepared a new PDB file form the Phaser solution output with only one
molecule instead of 30. Prepared the sequence file in pir format for the
target. Now the wilson plot says B-factor of 3.66 and solvent content 0.98 even
if I cut off the low resolution data to 8.0 from 20.0 and increase the high
resolution to 1.0.
Initially when I calculated the mathews coefficient it showed the best estimate
to be 2 molecules in the assymmetric unit.
Am I missing something again?
Thanks in advance,
Ivan
