First of all I would ask a XDS expert for that because I don't know exactly what stats the XDS program reports (shame on me, ok) nor what the quality of your error model is, or what you want to use the data for (I guess refinement - see Eleanor's response for that, and use all data).
There is one point I'd like to make re cutoff: If one gets greedy and collects too much noise in high resolution shells (like way below <I/sigI> = 0.8 or so) the scaling/integration may suffer from an overabundance of nonsense data, and here I believe it makes sense to select a higher cutoff (like what exactly?) and reprocess the data. Maybe one of our data collection specialist should comment on that. BR -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Maia Cherney Sent: Thursday, March 03, 2011 9:13 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] I/sigmaI of >3.0 rule I have to resend my statistics. Maia Cherney wrote: > Dear Bernhard > > I am wondering where I should cut my data off. Here is the statistics > from XDS processing. > > Maia > >> >> >> >> On 11-03-03 04:29 AM, Roberto Battistutta wrote: >> >>> Dear all, >>> I got a reviewer comment that indicate the "need to refine the >>> structures >>> >> at an appropriate resolution (I/sigmaI of>3.0), and re-submit the >> revised coordinate files to the PDB for validation.". In the >> manuscript I present some crystal structures determined by molecular >> replacement using the same protein in a different space group as >> search model. Does anyone know the origin or the theoretical basis of >> this "I/sigmaI>3.0" rule for an appropriate resolution? >> >>> Thanks, >>> Bye, >>> Roberto. >>> >>> >>> Roberto Battistutta >>> Associate Professor >>> Department of Chemistry >>> University of Padua >>> via Marzolo 1, 35131 Padova - ITALY >>> tel. +39.049.8275265/67 >>> fax. +39.049.8275239 >>> roberto.battistu...@unipd.it >>> www.chimica.unipd.it/roberto.battistutta/ >>> VIMM (Venetian Institute of Molecular Medicine) via Orus 2, 35129 >>> Padova - ITALY tel. +39.049.7923236 fax +39.049.7923250 www.vimm.it >>> >>> >> >> > >
