Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-09-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Yu, I hope you have somebody in your lab to share their expertise with you, because you will benefit to a much greater extend in learning data integration from somebody sitting next to you than from the limited possibilities of online resources.

Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-09-02 Thread Yu Longjiang
Dear all, thank you very much for your kind suggestions. my crystals are very anisotropic, and usually about 1A between the two different orientations. here, I post a brief statistic table treated by HKL2000. In fact, I am mainly working on the crystallization and characterization of proteins,

Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-09-01 Thread Kay Diederichs
I forgot: you should be using FRIEDEL'S_LAW=TRUE

Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-09-01 Thread Kay Diederichs
The HKL2000 stats look very "untypical" to me. I wonder what the completeness is. For the XDS processing, have you tried the hints given in the Optimization article in XDSwiki, in particular recycling of GXPARM.XDS and using the *_E.S.D. parameters as found in INTEGRATE.LP ? According to your

Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-08-30 Thread Nicolas Foos
Dear Yu, in the CORRECT.LP, The I/Sig is very low for the resolution higher than 4.17 . If i were you i probably cut the resolution around 4 Å not 2.8 Å. Because of the I/sig and CC. This explain probably the bad electron density. Because, you have not strong information for the resolution

[ccp4bb] AW: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-08-30 Thread Herman . Schreuder
: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] x-ray diffraction data analysis (XDS) Dear all, I recently collected a dataset of a membrane protein. I first processed the data with HKL2000 to 2.8A ( the diffraction limit) at the beamline, and then treated the data again with XDS, although I am not