Re: [ccp4bb] Sub-angstrom resolution

2012-01-11 Thread Dirk Kostrewa
Dear Colin, Am 10.01.12 18:08, schrieb Colin Nave: snip 3. The structure factors are lower for large unit cells. This will mean they will be harder to detect, particularly if there is a high background. /snip But aren't the total structure factors of a unit cell the sum of the atomic

Re: [ccp4bb] Sub-angstrom resolution

2012-01-11 Thread Thomas Womack
On 11 Jan 2012, at 02:13, Artem Evdokimov wrote: There are two sides to this qustion: the scientific one is actually easier to answer in generic terms - but I also would like to point out the very recent example of a mystery that required very high resoluton (and orthogonal techniques) to

Re: [ccp4bb] Sub-angstrom resolution

2012-01-11 Thread Thomas Womack
On 11 Jan 2012, at 11:36, Thomas Womack wrote: On 11 Jan 2012, at 02:13, Artem Evdokimov wrote: There are two sides to this qustion: the scientific one is actually easier to answer in generic terms - but I also would like to point out the very recent example of a mystery that required

Re: [ccp4bb] Sub-angstrom resolution

2012-01-11 Thread Colin Nave
leads to average spot intensities being reduced by a factor of 8. Thanks! Colin -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Dirk Kostrewa Sent: 11 January 2012 09:15 To: ccp4bb Subject: Re: [ccp4bb] Sub-angstrom resolution Dear Colin

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Colin Nave
board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Ethan Merritt Sent: 09 January 2012 19:47 To: ccp4bb Subject: Re: [ccp4bb] Sub-angstrom resolution On Monday, January 09, 2012 11:37:23 am Ed Pozharski wrote: On Mon, 2012-01-09 at 18:15 +, Theresa H. Hsu wrote: Dear crystallographers

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Ed Pozharski
On Tue, 2012-01-10 at 09:04 +, Colin Nave wrote: Yes, I think Ed's analysis is a bit misleading. I apologize if I misled anyone. Re-reading my post, I can see that it lacked precision. Indeed, in a perfect monocrystal all the molecules are lined up perfectly, so I should have emphasized

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Jacob Keller
I think once you start getting down to such small crystals, the spots are not really important, as the pattern starts getting continuous. Interestingly enough, I guess for single-molecule diffraction, resolution is limited only by radiation damage, and not by any sort of lattice disorder (or even

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Colin Nave
Message- From: Ed Pozharski [mailto:epozh...@umaryland.edu] Sent: 10 January 2012 16:09 To: Nave, Colin (DLSLtd,RAL,DIA) Cc: ccp4bb Subject: Re: [ccp4bb] Sub-angstrom resolution On Tue, 2012-01-10 at 09:04 +, Colin Nave wrote: Yes, I think Ed's analysis is a bit misleading. I apologize if I

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Theresa H. Hsu
Thank you for the interesting replies so far. Please let me ask a related question - at what resolution should we stop efforts to get better diffracting crystals? Are there *biological* questions that a model with 1.8-2.0 A resolution (with combination of complementary methods like

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Ed Pozharski
On Tue, 2012-01-10 at 18:30 +, Theresa H. Hsu wrote: Thank you for the interesting replies so far. Please let me ask a related question - at what resolution should we stop efforts to get better diffracting crystals? Are there *biological* questions that a model with 1.8-2.0 A

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Pavel Afonine
One more to add to Ed's list: highly accurate ultra-high resolution structures may allow calculation of electrostatic potential around protein ligand binding site. There are plenty of reference... Pavel On Tue, Jan 10, 2012 at 11:04 AM, Ed Pozharski epozh...@umaryland.eduwrote: On Tue,

Re: [ccp4bb] Sub-angstrom resolution

2012-01-10 Thread Artem Evdokimov
There are two sides to this qustion: the scientific one is actually easier to answer in generic terms - but I also would like to point out the very recent example of a mystery that required very high resoluton (and orthogonal techniques) to answer, namely the puzzle of the light atom in the center

Re: [ccp4bb] Sub-angstrom resolution

2012-01-09 Thread Cale Dakwar
In theory, no: sub-angstrom resolution can be obtained for any and all proteins, including membrane proteins, and for large complexes. In reality, it becomes technically very difficult to achieve; you would need ever-colder temperatures and ever-stronger irradiation sources. P.S. In theory, the

Re: [ccp4bb] Sub-angstrom resolution

2012-01-09 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi, in my opinion the resolution limit of crystals from large complexes/ membrane proteins is more likely due to lattice imperfections and long-range disorder, and cold neither cold temperatures nor stronger radiation sources would circumvent this

Re: [ccp4bb] Sub-angstrom resolution

2012-01-09 Thread Jacob Keller
The word theory in this thread/question has to be clarified better. Jacob On Mon, Jan 9, 2012 at 1:27 PM, Tim Gruene t...@shelx.uni-ac.gwdg.de wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi, in my opinion the resolution limit of crystals from large complexes/ membrane proteins is

Re: [ccp4bb] Sub-angstrom resolution

2012-01-09 Thread Ed Pozharski
On Mon, 2012-01-09 at 18:15 +, Theresa H. Hsu wrote: Dear crystallographers A theoretical question - can sub-angstrom resolution structures only be obtained for a limited set of proteins? Is it impossible to achieve for membrane proteins and large complexes? Theresa On the matter

Re: [ccp4bb] Sub-angstrom resolution

2012-01-09 Thread Ethan Merritt
On Monday, January 09, 2012 11:37:23 am Ed Pozharski wrote: On Mon, 2012-01-09 at 18:15 +, Theresa H. Hsu wrote: Dear crystallographers A theoretical question - can sub-angstrom resolution structures only be obtained for a limited set of proteins? Is it impossible to achieve for