[phenixbb] estimated coordinate error

Jianghai Zhu jzhu at cbr.med.harvard.edu
Wed Aug 1 11:52:09 PDT 2007


I am refining a 2.6 A structure using both phenix.refine and  
refmac5.  Both programs give me similar R and Rfree values.  But the  
estimated coordinate errors are quite different.

 From phenix.refine:
maximum likelihood estimate for coordinate error: 0.42 A

 From refmac5:
estimated overall coordinate error:
ESU based on R value:				0.427 A
ESU based on Free R value:			0.293 A
ESU based on maximum likelihood:	0.239 A

I am wondering why they are different.


Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232

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