Re: [ccp4bb] Lysozyme/Xenon derivatives & Phenix.

2012-02-03 Thread Randy Read
Hi, I'm cross-posting this to the Phenix-BB, because you did this calculation in Phenix, but since the site completion for SAD phasing would be done with Phaser, the answer is relevant to both packages. Basically, I think Jim Pflugrath's suggestion is correct. Comparing your Xe coordinates to

Re: [ccp4bb] Lysozyme/Xenon derivatives & Phenix.

2012-02-02 Thread George Sheldrick
Dear Brennan, Since you accidentally sent your request to the CCP4bb rather than the Phenix email list, I suggest that you try SHELXC/D/E, e.g. using Thomas Schneider's HKL2MAP, to see if it gets the same answers. These programs have solved lysozyme hundreds of times. HKL2MAP will also automat

Re: [ccp4bb] Lysozyme/Xenon derivatives & Phenix.

2012-02-02 Thread Jim Pflugrath
: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Lysozyme/Xenon derivatives & Phenix. Hi all, I have a strange result using Phenix's AutoSol to look for xenon sites in lysozyme.

[ccp4bb] Lysozyme/Xenon derivatives & Phenix.

2012-02-02 Thread Brennan Bonnet
Hi all, I have a strange result using Phenix's AutoSol to look for xenon sites in lysozyme. For a few months now I have been trying to produce xenon derivatives of lysozyme using pressures in the range of 50-350psi and time ranges between 5-60min trying to find the "sweet spot" so that this