[mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Guangyu
Zhu
Sent: 15 March 2013 00:28
To: ccp4bb
Subject: [ccp4bb] Resolution and data/parameter ratio, which one is more
important?
I have this question. For exmaple, a protein could be crystallized in two
crystal forms. Two crystal form have same space group
Dear Dr Zhu,
I hope the following might make things easier to grasp. The 3.0Angstrom
diffraction resolution is basically required to resolve a protein polypeptide
chain whether your protein is in an 80% solvent content unit cell or a 50%
solvent content unit cell. You will have more
Dear Guangyu Zhu,
if this is not a hypothetical case you can refine both structures in each
crystal form separately using whatever software and compare them later.
The structure can be refined also in both crystal forms simultaneously using
the multi crystal NCS refinement as implemented in
Well, when it comes to observations/parameters, it is important to
remember that not all observations are created equal. 10,000
observations with I/sigma = 1 are definitely not as desirable as
10,000 observations with I/sigma = 10. Not all parameters are created
equal either. Yes, you may
: Friday, March 15, 2013 1:28 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Resolution and data/parameter ratio, which one is more
important?
I have this question. For exmaple, a protein could be crystallized in two
crystal forms. Two crystal form have same space group, and 1 molecule/asymm.
One
Hi Guangyu,
I think it's not as straightforward as comparing d/p ratios, that is only
one of several factors that influences precision. Another important factor
would be the overall level of thermal motion disorder which will most
likely be significantly higher in the 3.6A 80% case; after all
: [ccp4bb] Resolution and data/parameter ratio, which one is more
important?
Hi Guangyu,
I think it's not as straightforward as comparing d/p ratios, that is only one
of several factors that influences precision. Another important factor would
be the overall level of thermal motion disorder which
Date: Friday, March 15, 2013 6:33 AM
To: System Administrator g...@hwi.buffalo.edu
Cc: CCP4BB@JISCMAIL.AC.UK CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] Resolution and data/parameter ratio, which one is
more important?
Hi Guangyu,
I think it's not as straightforward as comparing d/p ratios
] Resolution and data/parameter ratio, which one is more
important?
Hi Guangyu,
I think it's not as straightforward as comparing d/p ratios, that is only one of
several factors that influences precision. Another important factor would be the
overall level of thermal motion disorder which will most
I have this question. For exmaple, a protein could be crystallized in two
crystal forms. Two crystal form have same space group, and 1 molecule/asymm.
One crystal form diffracts to 3A with 50% solvent; and the other diffracts to
3.6A with 80% solvent. The cell volume of 3.6A crystal must be
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