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.
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,