[ccp4bb] Pseudo-translation?

Dear all, I have an orthorhombic crystal (pointless suggests most likely space groups P 2 21 21 or P 2 21 2) with two molecules expected in the asymmetric unit. Analyzing the native Patterson map I found the following peaks (in fractional coordinates): CELL 63.0400 117.2500 133.6500

[ccp4bb] Help with MR in P21

Dear all, I am trying to solve a structure at 2.05 A resolution by molecular replacement. The space group seems to be P21, with unit cell dimension 52.63, 29.43, 104.970 and beta = 95.60. Only one copy of the protein should be present in the asymmetric unit, with 58% of solvent content. The

[ccp4bb] Bug regarding cell dimensions in autoSHARP / SCALA

I am doing SAD phasing with the latest autoSHARP and CCP4 6.1.1 (SCALA version 3.3.9). The space group is P21 with unit cell dimension 52.67, 28.61 and 105.16. If I give the data as unmerged SHELX file, it happens that the third cell dimension become identical to the first when the data are

Re: [ccp4bb] Bug regarding cell dimensions in autoSHARP / SCALA

Clemens Vonrhein wrote: SCALA (as far as I know) gets its cell dimensions from the so-called batch header (since each image could have a different cell it averages those). So the problem isn't yet visible in your output - just do % mtzdmp CONVERT/F2MTZCOMBAT_peak.mtz -b and look at

Re: [ccp4bb] space groups not supported by Refmac5

Dear Arefeh, Arp/warp works with standard space groups, therefore you have to reindex P21221 to P21212. In this message from Anastassis Perrakis you can find some advice: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0709L=CCP4BBT=0F=S=P=100954 Michele Arefeh Seyedarabi wrote: Hi, I

Re: [ccp4bb] Problems installing tasks to CCP4i - not yet solved.

are most welcome. Cheers, Klaas --- Dr. Klaas Max MDC Berlin Buch Macromolecular Structures and Interactions Robert-Roessle-Strasse 10 13125 Berlin phone +49 30 9406 2265 fax +49 30 9406 2548 --- -- Dr. Michele Lunelli Department of Cellular Microbiology Max Planck Institute

[ccp4bb] Question about strange MR solution

, as well as the Padilla-Yeates test. Is it possible, that I refined the structure in the wrong space group? Thank you in advance, Michele Lunelli

Re: [ccp4bb] CCP4 mailing list

Maybe some post is rejected because (incorrectly) marked as spam, it happens the same to me with yahoo.. Michele Thomas Stout wrote: Has anyone else noticed that they're only getting some of the postings on the CCP4 mailing list?

[ccp4bb] I/sigma in XDS output

? Thank you in advance, Michele Lunelli MPI for Infection Biology Berlin - Germany

[ccp4bb] Duration of a phaser job

the log file. The search model consists of a polyala of 42 residues. Thank you, Michele Lunelli Department of Cellular Microbiology Max Planck Institute for Infection Biology Campus Charité Mitte Charitéplatz 1 D-10117 Berlin Chiacchiera con i tuoi amici in tempo reale! http