Re: [ccp4bb] Advice for phasing

2008-07-31 Thread Junyu Xiao
Dear all, Thanks for all the advices. The solution worked for me is to calculate Se-MAD phase and Hg-SIR (use SeMet remote wavelength as "native") phase separately in SHARP; then combine the phase using CNS (combine.inp). After density modification in DM, ~2/3 of one molecule (4 molecules

Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Anastassis Perrakis
Hi - I would try SHARP; or to be exact be tempted to think less and use autoSHARP with the description of all datasets and only give it the Se sites for the seMet crystal. The same thing can also be done easily in Solve. In both cases I would start with unmerged data and let these program

Re: [ccp4bb] Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Van Den Berg, Bert
board on behalf of Jacob Keller Sent: Thu 7/17/2008 11:23 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Advice for phasing Wouldn't it make sense to do MIRAS with both the Se and Hg derivatives, and add in some multi-crystal averaging from the native set? You seem like you are almost

Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Jacob Keller
From: Junyu Xiao To: CCP4BB@JISCMAIL.AC.UK Sent: Thursday, July 17, 2008 10:13 AM Subject: [ccp4bb] Advice for phasing Hi, I have a very good native data set. However, the selenomethionyl crystal has a different space group and always suffers from radiation damage. A three-wavel

[ccp4bb] Advice for phasing

2008-07-17 Thread Junyu Xiao
Hi, I have a very good native data set. However, the selenomethionyl crystal has a different space group and always suffers from radiation damage. A three-wavelength data set was still collected, and after phasing in SHARP, some features can be seen but the map is not good enough for trac