Re: [ccp4bb] low resolution refinement

2011-07-10 Thread CAI Qixu
Hi, Thank you very much. In the example5 of this page http://www.ysbl.york.ac.uk/~garib/refmac/docs/usage/examples.html#exam5, It seems that for 3A dataset, MAKE HYDRogenshttp://www.ysbl.york.ac.uk/%7Egarib/refmac/docs/keywords/restraints.html#make_hydrNo. Is it mean that the hydrogen just

[ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread ferrol shariff
Hello and good day to everyone! :) I have some general questions on crystallography work. I hope you don't mind giving me some ideas. I have solved my lipase protein both ground-grown crystals and space-grown crystals with good resolutions (1.4A and 2.2A). They are the same protein from the same

Re: [ccp4bb] low resolution refinement

2011-07-10 Thread Robbie Joosten
When in doubt, try both. In my personal experience, adding hydrogens always works. Especially at low resolution. But don't take my word for it, experiment a little. Cheers, Robbie Date: Sun, 10 Jul 2011 16:01:59 +0800 From: caiq...@gmail.com Subject: Re: [ccp4bb] low resolution refinement To:

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread Edward Snell
Hi Fairolniza, There is little detail to go on here - I'd double check everything including the processing. All things being equal, even with reduced acceleration, you should have the same crystal form. That said, if there is a difference, I suspect it has little to do with any reduced

Re: [ccp4bb] abnormal I/Sigma over phi rotation range

2011-07-10 Thread Jim Pflugrath
Please clarify: Did you process the sets separately from the images? Or did you process 360 degrees of images all the way to scaled, but unaveraged results, then average reflections from the 5 different rotation ranges? Or something else? With most processing programs that I am aware of, one

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread Jim Pflugrath
OK, same space group, but you didn't indicate what the unit cells were. They are different, right? _ From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of ferrol shariff Sent: Sunday, July 10, 2011 3:10 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Same protein,

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread Artem Evdokimov
I would not rule out pure chance. Crystals of the same protein can and often do grow in two (or more!) different forms, from 'the same conditions' and often in the very same drop. In this case it's the same space group, but presumably different cell dimensions? Until a significant number of

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread ferrol shariff
Thank you very much everyone for the replies. Ok. Here are more details on the work: 1) Crystallization was done using counter diffusion method- in a capillary (for both Space and Ground experiments) 2) Vapor diffusion method was done only for Ground experiments, and produced both Shape 1 and

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-10 Thread Artem Evdokimov
Thank you for the clarification. So you have two independent crystal forms from the 'same' condition and one of them does not grow in space. Sounds like there is some basis to the theory that lack of gravity caused the first form to disappear. Unfortunately it can also be the subtle changes in