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
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 Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0033
