[ccp4bb] strange unit cell

2013-10-25 Thread 유상헌
Hi, I tried to find out a correct space group using the program Zanuda. Surprisingly, Zanuda suggested a space group P42212 but not P21 and cubic ones. The unit cell of P42212 was 104.240 104.240 104.209 90.00 90.00 90.00. The number of molecules in an AU was 1, while there were 4 molecules

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Harry Powell
Hi Sangheon As others have said, there is nothing that stops a cell being monoclinic with those cell dimensions - indeed, there is nothing stopping it being triclinic, orthorhombic or tetragonal either (or even rhombohedral, for those of us who like to describe it with non-hexagonal axes). Wh

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Mark J van Raaij
Dear Sangheon, you don't say which cubic space group you tried, perhaps you tried the wrong one? Did Pointless indicate a clear preference? Between P23 and P213 for instance you can tell by systematic absences along h (if they were collected ok), but between I23 and I213 the only option is to try

[ccp4bb] AW: [ccp4bb] strange unit cell

2013-10-25 Thread Herman . Schreuder
, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von ??? Gesendet: Freitag, 25. Oktober 2013 02:56 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] strange unit cell Hi everyone, Recently I've got a protein crystal and I did indexing and scaling with a cubic space

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Graeme Winter
You could try putting this into the Zanuda server http://www.ysbl.york.ac.uk/YSBLPrograms/ which will search for possible correct spacegroups given the coordinates and structure factors. There are however no reasons why you can't have a pseudo-cubic monoclinic lattice, however "unlikely" it is.

[ccp4bb] strange unit cell

2013-10-24 Thread 유상헌
Hi everyone, Recently I’ve got a protein crystal and I did indexing and scaling with a cubic space group (unit cell 104.115 104.115 104.115 90.0 90.0 90.0). But a Rmerge value was too high (around 0.5-0.6). So, I tried lower symmetry space groups and I successfully solved the structure with a s