Re: [ccp4bb] buried surface area

2007-04-27 Thread Jiamu Du
Dear *Gloria* In CNS, you can do it use buried_suface.inp. On 4/28/07, Gloria Borgstahl <[EMAIL PROTECTED]> wrote: Hello all, What is the easiest way, these days, to calculate the buried surface area between two subunits of a protein? Thanks, and Happy Friday, Gloria *

[ccp4bb] buried surface area

2007-04-27 Thread Gloria Borgstahl
Hello all, What is the easiest way, these days, to calculate the buried surface area between two subunits of a protein? Thanks, and Happy Friday, Gloria**Gloria BorgstahlEppley In

[ccp4bb] NCS-averaged composite omit map?

2007-04-27 Thread Paul Paukstelis
I'm working on a 4.5-A structure with 4-fold NCS. I've generated a SA composite omit map and all the protomers look pretty good, but with weaker density in mostly different parts for each. Am I correct that CNS doesn't do any NCS averaging automatically, and is there any reason why I shouldn't

Re: [ccp4bb] weird thing about MR

2007-04-27 Thread Eleanor Dodson
Such high R values usually mean there are many many very weak relections.. You havent kept in the h+k+l = 2n+1 reflections have you? Do a native Patterson check too to make sure there are not other translations which might distort the data Eleanor Yi Xue wrote: Dear all: I have a datas

[ccp4bb] weird thing about MR

2007-04-27 Thread Yi Xue
Dear all: I have a dataset diffracted to about 3A, and it is supposed to be protein/DNA complex. The spacegroup could be I4, I422, I222, or F222. I used the protein structure to start molecular replacement. There are three copies of complexes if assuming I422 symmetry. For the search o

[ccp4bb] call for proposals for beamtime at BM14/ESRF June/July 2007

2007-04-27 Thread Martin A. Walsh
Dear all, please get your applications in for beamtime at BM14 before the end of next week -i.e. Friday 4th May if you would like beamtime in june or july and want to solve some structures before the August break - if you want good phases then get your applications in to us sooner rather than later

Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Phil Evans
An additional fix of Clemens' made in 3.2.29 ftp://ftp.mrc-lmb.cam.ac.uk/scala_3.2.29.tar.gz Phil On 27 Apr 2007, at 10:10, Clemens Vonrhein wrote: Hi Phil, these diffs I made to 3.2.27 - seem to fix some other things too. Cheers Clemens On Fri, Apr 27, 2007 at 09:50:16AM +0100, Phil Evan

Re: [ccp4bb] Superposition of maps from different crystal forms

2007-04-27 Thread Paul Emsley
Andrew, Did you try the NCS maps in Coot and it didn't work and therefore you are going down this rather convoluted route? On Fri, Apr 27, 2007 at 10:20:12AM +0100, Eleanor Dodson wrote: > Well - I would do it the same way as you are - find a matrix with > lsqkab, then apply that to the map wit

Re: [ccp4bb] Structures with pseudo-uridine?

2007-04-27 Thread Poul Nissen
Hi Yuan, Basically all tRNA structures in pdb will contain pseudo-U, and starting from old tRNAPhe literature you will find a lot on the structural consequences of having pseudo-U in RNA. Poul On 27/04/2007, at 3.45, Yuan Lin wrote: Dear All, I solved a structure of a pseudouridylated

Re: [ccp4bb] Superposition of maps from different crystal forms

2007-04-27 Thread Eleanor Dodson
Well - I would do it the same way as you are - find a matrix with lsqkab, then apply that to the map with maprot. It should be OK. However there are some tricks which might help. Small differences in cell dimensions sometimes muddle coot I think and also I think it gets confused by different s

Re: [ccp4bb] Structures with pseudo-uridine?

2007-04-27 Thread Philippe DUMAS
Yuan All other tRNA structures, free or engaged in complex with their cognate synthetase (as for Arnez & Steitz' structure), contain at least a pseudoUridine. Cytoplasmic tRNAs almost invariably contain the conserved sequence T(54)-PseudoU(55)-C(56) in the so-called TPsi-loop. There are many such

Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Phil Evans
I believe this is a combination of errors in COMBAT (not setting cell constraint flags correctly) and SCALA (not detecting properly that they are unset) I believe that I have fixed the Scala error in my latest version ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/scala_3.2.28.tar.gz (I hope!) There

Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Stein, ND (Norman)
Hi Paola This looks like a bug in Scala to me. The error message should only be printed out if the Relative Length Error exceeds 0.03 or the Angle error exceeds 0.5, whereas in your case both errors are zero. The relevant lines of code are a new addition in 6.0.2, which explains why you didn't