Re: [ccp4bb] resolution vs ramachandran

2007-08-03 Thread Robert Immormino
Hi Xiaofei, You might want to try the backrub tool in KiNG (http://kinemage.biochem.duke.edu/software/king.php) . This allows one to make subtle correlated changed along the mainchain, and watch the effect on the fit to the Ramachandran plot. Richardson Lab Duke University On 8/3/07, Xiaofei J

Re: [ccp4bb] resolution vs ramachandran

2007-08-03 Thread price
Every modern structure should be "above average" by procheck criteria. For modest resolution structures, the availability of ncs restraints should have a big effect on one's Ramachandran expectations: I've found ncs restraints at 3-3.5A do wonders for the Ramachandran plot even when they don't

[ccp4bb] resolution vs ramachandran

2007-08-03 Thread Xiaofei Jia
Dear all,   I am now preparing my structure for deposition.  The crystal diffracts to 3.0 A. R: 0.20; R free: 0.25. What I am concerned with is the Ramachandran plot; 83.5% in core region, 15.8% in allowed, 0.5 % in general allowed,0.2% in disallowed region. The model fits in density pretty well an

Re: [ccp4bb] resolution vs ramachandran

2007-08-03 Thread Edward Berry
Procheck puts out such a correlation (% most favorable vs resolution) in the _04.ps file. For example look at page 7, first panel of the sample procheck output at: http://sb20.lbl.gov/SQR/procheck-2H88.pdf It appears that 83.5% would be well above average for a 3 A structure according to procheck