Dear Tom, thanks. Yes Phenix is the latest version 1.14-3225. I will put the data in the cloud.
Many thanks, br Georg.
Hi Georg,I'm sorry for the trouble! I thought I had fixed the limitation of wavelength in autosol in March but I may have missed something! I think you are using a recent nightly build so your phenix should have whatever I did. If so, can you possibly send me the full log file and input files and I'll try it here and fix the wavelength problem?Thanks a lot!
-Tom T
On Sun, Aug 26, 2018 at 2:42 PM, Georg Mlynek <[email protected]> wrote:
Dear Phaser Developers, we have collected data at diamond at 3A wavelength for Ca-MAD.
Running autosol supplying the peak and remote dataset I get a solution. However the resolution is too low for autobuild to be successful.
Therefore I continued with MR-SAD supplying the peak data=overall_best_refine_data.
mtz
This is my input mtz
However get this error message:
Error message from Phaser:
FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
Use SCATTERING to specify f' and f" for atom(s) "S"
Phaser phasing did not work
Scattering factors for Ca will be f'= -6.74 f''= 6.55
Using partial model pdb file as substructure: /home/g/r/aactn1_merge/phaser_31/aactn1_merge_phaser.1.pdb with RMS= 0.7
Data output to : AutoSol_run_32_/TEMP0/phaser_mtz
FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
Use SCATTERING to specify f' and f" for atom(s) "S"
Phaser phasing did not work
Analysis failed on solution evaluation
If I specify S as atom it continues without any problem however I get this warning, which I don't understand scientifically.
The same error I get (of course) when I would like to run PHASER-EP
I guess the errors are just resulting from the programs not adjusted to the longwavelength beamline.
Many thanks, best regards Georg.
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Thomas C TerwilligerLaboratory Fellow, Los Alamos National LaboratorySenior Scientist, New Mexico Consortium100 Entrada Dr, Los Alamos, NM 87544Email: [email protected]Tel: 505-431-0033