Re: [ccp4bb] Bond Length Outliers (correction)

2012-02-16 Thread Bernhard Rupp (Hofkristallrat a.D.)
: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Bond Length Outliers (correction) Using the Protein Geometry Database (pgd.science.oregonstate.edu) I looked up all Arg residues in models with resolution of 1.3 A or better and found 5920 examples. The mean value of the O-C-N angle (and I'm ass

Re: [ccp4bb] Bond Length Outliers (correction)

2012-02-16 Thread Dale Tronrud
m 320 > 240 S. Martin Jischke Drive, West Lafayette, IN 47907 > > > > > > *From: *"Bernard D. Santarsiero" > *To: *"Greg Costakes" > *Sent: *Thursday, February 16, 2012 11:42:55 AM > *Sub

Re: [ccp4bb] Bond Length Outliers (correction)

2012-02-16 Thread Christian Roth
-- Original Message - > From: "Bernard D. Santarsiero" > To: "Greg Costakes" > Sent: Thursday, February 16, 2012 11:42:55 AM > Subject: Re: [ccp4bb] Bond Length Outliers > > Greg, > > Your RMSD on bond lengths should be around 0.01A (your structu

[ccp4bb] Bond Length Outliers (correction)

2012-02-16 Thread Greg Costakes
- Original Message - From: "Bernard D. Santarsiero" To: "Greg Costakes" Sent: Thursday, February 16, 2012 11:42:55 AM Subject: Re: [ccp4bb] Bond Length Outliers Greg, Your RMSD on bond lengths sh

[ccp4bb] Bond Length Outliers

2012-02-16 Thread Greg Costakes
I am currently in the final steps of refining a 1.3A structure and am coming across a slight problem. According the the pdb file, I have an Rmsd bond length of 2.55. MolProbity identifies three outliers which correspond to the bond lengths of: Asp: C--O , bond length = 1.2A Arg: C--O , bond le