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Space group determination

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In case == The 65 space groups in which proteins composed of a crystal with an unknown space group L-amino acids can crystallize ==  The mapping of numbers and names is:  ****** LATTICE SYMMETRY IMPLICATED BY SPACE GROUP SYMMETRY ****** BRAVAIS- POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS TYPE [SPACE GROUP NUMBER,SYMBOL] aP [1,P1] mP [3,P2] [4,P2(1)] mC,mI [5,C2] oP [16,P222] [17,P222(1)] [18,P2(1)2(1)2] [19,P2(1)2(1)2(1)] oC [21,C222] [20,C222(1)] oF [22,F222] oI [23,I222] [24,I2(1)2(1)2(1)] tP [75,P4] [76,P4(1)] [77,P4(2)] [78,P4(3)] [89,P422] [90,P42(1)2] [91,P4(1)22] [92,P4(1)2(1)2] [93,P4(2)22] [94,P4(2)2(1)2] [95,P4(3)22] [96,P4(3)2(1)2] tI [79,I4] [80,I4(1)] [97,I422] [98,I4(1)22] hP [143,P3] [144,P3(1)] [145,P3(2)] [149,P312] [150,P321] [151,P3(1)12] [152,P3(1)21] [153,P3(2)12] [154,P3(2)21] [168,P6] [169,P6(1)] [170,P6(5)] [171,P6(2)] [172,P6(4)] [173,P6(3)] [177,P622] [178,P6(1)22] [179,P6(5)22] [180,P6(2)22] [181,P6(4)22] [182,P6(SPACE_GROUP_NUMBER=0 in 3)22] hR [146,R3] [155,R32] cP [XDS.INP195,P23][198,P2(1)3][207,P432] [208,P4(2)32] [212, XDS P4(since 3)32] [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/Release_Notes.html version June 2008213,P4(1)32] cF [196,F23] [209,F432] [210,F4(1)32] cI [197,I23][199,I2(1) helps the user in determination of the correct space group3] [211, by suggesting possible space groups compatible with the lattice symmetry of the dataI432] [214, and by calculating the R<sub>meas</sub> for these space groups.I4(1)32]  
== Space group selected by XDS: ambiguous with respect to enantiomorph and screw axes ==
 
In case of a crystal with an unknown space group (SPACE_GROUP_NUMBER=0 in [[XDS.INP]]), XDS (since [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/Release_Notes.html version June 2008]) helps the user in determination of the correct space group, by suggesting possible space groups compatible with the lattice symmetry of the data, and by calculating the R<sub>meas</sub> for these space groups.
XDS (or rather, the CORRECT step) makes an attempt to pick the correct space group automatically: it chooses that space group which has the highest symmetry (thus yielding the lowest number of unique reflections) and still a tolerable R<sub>meas</sub> compared to the R<sub>meas</sub> the data have in any space group (which is most likely a low-symmetry space group - often P1).
In many cases the automatic choice is the correct one, and re-running the CORRECT step is then not necessary. However, neither the correct enantiomorph nor screw axes (see below) are determined automatically by XDS.
== Table of space = Space groups to consider based on CORRECT suggestion ===
{| cellpadding="10" cellspacing="0" border="1"
! If CORRECT suggests
|}
'''Attention''': this table was set up on February 15, 2015 and has been not verified by anyone.If you find an error ''please'' send an email to kay dot diederichs at uni-konstanz.de !
== Space group selected by user ==
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