[ccp4bb] high z-scores, negative LLG in Phaser

[Sean Gay]

I have a 2.0A data set that I solved using an ensemble of 5 related 
structures in Phaser. My Z-scores for the solution are fantastic (RFZ= 
28.7, TFZ=24.6), but my LLG is very negative (-698.2). The LLG increases 
by almost 800 (started at -1488.6) during the course of the run. The 
density for the solution is great and the solution model fits it 
very well. I'm wondering why the Z-scores and LLG contradict each other. 
Should I be happy with the large increase in LLG or should I be 
concerned about the final value still being negative?

Sean C. Gay, PhD
Postdoctoral Scholar
Skaggs School of Pharmacy and Pharmaceutical Sciences
University of California, San Diego
9500 Gilman Dr.
La Jolla, CA 92093