[phenixbb] LABIN labels for Autosol/resolve NCS scores

Florian Schmitzberger schmitzberger at crystal.harvard.edu
Thu Sep 16 07:23:44 PDT 2010

Dear All,

I would have a number of Phenix related questions:

Firstly, I used the anisotropy server ( to anisotropically truncate my  
mtz file with anomalous signal (SAD data). My question is if the  
labels (for F+/F- and SIGF+/SIGF- are correctly recognized by Phenix  

The columns labels are: F_ref  for FP; QSIGF_ref for SIGFP; GF(+)pk  
for F(+); LSIGF(+)pk for SIGF(+), GF(-)pk for F(-); LSIGF(-)pk for  

It seems QSIGF and GF(+)pk/LSIGF(+)pk etc. are , but I am uncertain if  
it recognizes F_ref, because for the LABIN INPUT LABELS it says "NONE"  

Phenix does not seem to detect the anistropy ("Not using aniso- 
corrected data files as the range of aniso b  is only  19.52  and  
'correct_aniso' is not set); so I suppose I should use the  
correct_aniso=True keyword.

Secondly, what are good values for the evaluation of the NCS mask and  
NCS averaging Resolve is using in Phenix;  NCS overlap values (e.g. in  
my case 1.1) and NCS_CORR (in my case 0.52) in the "resolve.scores"  
file. Does an NCS overlap value of greater than 1 make sense?

I am working with a (anisotropic) dataset with 4.1/4.5 A resolution,  
78 % solvent content, 2-fold NCS;  Perhaps a naive question: It is not  
possible to use B-factor sharpened maps for autobuilding with Phenix  
Autobuild is it?

Thank you for any comments!


Florian Schmitzberger
Biological Chemistry and Molecular Pharmacology
Harvard Medical School
250 Longwood Avenue, SGM 130
Boston, MA 02115, US
Tel: 001 617 432 5602

More information about the phenixbb mailing list