Hi Prasum, In such case, with xia2 you could try to add the option: small_molecule=true. This will enable the consideration of centrosymmetric spacegourps. Or you can try in pointless the options: CHIRALITY NONCHIRAL or CENTROSYMMETRIC
Your spacegroup could be P-1 (#2). Good luck, Pierre ________________________________________ De : CCP4 bulletin board [[email protected]] de la part de Prasun Kumar [[email protected]] Envoyé : lundi 4 mars 2019 16:33 À : [email protected] Objet : [ccp4bb] Racemic crystallography and structure solving problem Hi All: I have performed racemic crystallography and got crystals that diffracted. The automatic processing softwares, XIA2 DIALS, (available in Diamond, UK) gives the space group as P1 and cell dimension 42.78 52.16 54.49 114.11 92.16 92.31. Challanges start from here: 1) How much I should be assured of the space group as I expect my peptides to get crystallized in the same group, but by default we get the same space group. 2) Is there any seperate method for processing the raw images in my case. I used the merged .mtz file for phasing. However, I always get the warning that eLLG score is low and it is difficult to fit a single copy of the ensemble. CC1/2 and I/SigI are in acceptable range. Completeness is also more than 95%. My peptides, 30 residues long, form an oligomer. However, I do not have reliable model of oligomers to start with. I have taken a single helix of length 24, 12 and 6 residues to phase, but no luck so far. Any guidelines will be really helpful. I am happy to provide any other relevant information, if one wants. Thanx in advance Prasun ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
