Re: [ccp4bb] Problematic P2 dataset with pseudotranslation

These things are always very difficult. It is obvious from the TRUNCATE log that your data is incomplete past about 2.5A and that it is very anisotropic (See wilson graph and the anisotropy fall off graph.) ( but why do you say the data stops at 2.2 when the graphs go to 1.9A?) There doesnt

Re: [ccp4bb] Poinless and space group P 4 3 2

Manfred was kind enough to give us the data to check his F432 case with Phaser, and I am happy to say that in our hands the solution was clear, with TFZ=23, however the model had 16 clashes and so the default job did not report a solution. This has inspired us to look again at being able to

Re: [ccp4bb] SORTMTZ error status = 256

Hello Eleanor I was using the ccp4i gui to run scala when I got the SORTMTZ detected error on obtaining record from sort procedure in return phase, status = 256 . The error vanished when I upgraded from ccp4 6.0 to 6.0.2 In any case the old com file for sortmtz is pasted below. It seems quite

Re: [ccp4bb] Poinless and space group P 4 3 2

Hurrah!!! I have quite often found that the packing requirements are too tight and ifell that they need at least to be given as a % of the CAs . MOLREP actually has a more sensitive packing check which looks at the % of the molecule which overlaps, and that is less likely to reject good

Re: [ccp4bb] Malonate Crystals?

Jacob, ITC vol A (5th ed), sect. 10.2 (pp 804-7) contains the full low-down on physical methods of detecting anisotropy chirality of crystals (see sect 10.2.4 for optical properties). -- Ian -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Ian Tickle

Re: [ccp4bb] Problematic P2 dataset with pseudotranslation

Hi Julian, I didn't see in Elenor's reply the calculate a native Patterson map option and verify that you actually have translational symmetry. You should have an off origin peak which will then give you the translation vector. When running Molrep look at the logfile it should automatically

[ccp4bb] Postdoctoral position at EMBL in Hamburg

POSTDOCTORAL POSITION AT THE EMBL, HAMBURG Scientific Programming and Algorithm Developing in Macromolecular Crystallography A postdoctoral position is available at the Structural Biology Unit of the EMBL in Hamburg. The postholder will work in a stimulating international environment on the

[ccp4bb] Unmerged output from Scala

Is anyone using the OUTPUT UNMERGED option in Scala? This file contains columns called SCALE SIGSCALE which are the applied scale and its SD I propose to change the names of these columns so that if you put the file back into Scala the scales do not get re-applied by default (which is

Re: [ccp4bb] Unmerged output from Scala

Phil, Labelit.rsymop relies on OUTPUT UNMERGED ORIGINAL to access scaled intensities with original Miller indices. However, the data are not fed back into Scala, so the changes you propose would be OK. Nick Phil Evans wrote: Is anyone using the OUTPUT UNMERGED option in Scala? This

Re: [ccp4bb] Unmerged output from Scala

Hi Phil, I use this option but not these columns. The only time I feed the file back I use ONLYMERGE and SCALES CONSTANT, to remerge the reflections. Cheers, Graeme From: CCP4 bulletin board on behalf of Phil Evans Sent: Mon 19/11/2007 5:07 PM To:

[ccp4bb] An off-topic question about mitochondria protein expression

Dear all, Sorry for bothering you. I have an off-topic question about how to choose a suitable expression vector and strain to overexpress mitochondria protein in E Coli for the future crystallographic study. It is a human metabolic enzyme expressed in the liver. My colleagues tried to

[ccp4bb] SUMMARY about deblock N-terminus

Dear friends, Thank you very much for your suggestions which are very helpful. I am writing to thank you from the bottom of my heart. Here is the summary of the topic. Best Wei # QUESTION: I solved a protein crystal structure which is about 95KD and

Re: [ccp4bb] Unmerged output from Scala

Hi Graeme, even with these options (ONLYMERGE and SCALES CONSTANT) you will have the SCALE column applied again to the intensities (not good) - at least that's how I understood Phil. You need to use ONLYMERGE INSCALE OFF to use the already scaled intensities and avoid applying the SCALE column

[ccp4bb] Microcrystallography: Call for Papers

Just a reminder that we are organizing an ACA session this year on microcrystallography in Knoxville TN. Please check out the session description below and consider submitting an abstract if you work in any of the topic areas. Students are strongly encouraged to submit abstracts and will

Re: [ccp4bb] Refmac B ARRAY FOR HESSIAN TABULATION

There is nothing to worry about this message. I just means that some of your B values may be too large. It does not affect refinement as far as I remember. Garib On 19 Nov 2007, at 21:13, mark Mayer wrote: Hello, I'm running a TLS refinement with Refmac and keep getting the following

Re: [ccp4bb] Unmerged output from Scala

Hello all, Along the lines of SCALA options UNMERGED and NOSCALE.. I am a little confused.. I wanted to get my data from mosflm to be used for the anisotropic scaling and ellipsoidal truncation server at http://www.doe-mbi.ucla.edu/~sawaya/anisoscale/ I was wondering what SCALA/Truncate

[ccp4bb] Protein-detergent micelle sizes

Dear Crystallographers, I am trying to gather literature values on the size of the detergent/micelle belts on solublized membrane proteins. Does anybody know of a good repository of this info, whether as a database or as a review paper, or otherwise? The rough values of 15-25kD to 35-50kD