That is a very high nTCS vector (78% of the origin. Are you sure your unit cell isny doubled ie cell is not 94.2073 148.003 72.9967 90 97.6686 90
But 47.136 148 73 90 98 90 What does pointless suggest for theSG Eleanor On 26 November 2016 at 18:56, KAUSHIK H.S. < 000002b42c18251e-dmarc-requ...@jiscmail.ac.uk> wrote: > Dear Dr. Read, > > For the first time, Phaser gave the following warning. > XXXXXXX > Warning: Input/Default tNCS NMOL (2) does not match suggested NMOL (4): > Please check cell content analysis and tNCS to confirm NMOL > > Warning: tNCS is present but correction factors NOT applied > XXXXXXX > > Hence, I set NMOL=4 (under other setting using the Phenix GUI of Phaser) > following which, only the second Warning message was displayed. The LLG > and TFZ scores remained the same in both the cases. The warnings remain > the same when I try to place more protomers in the ASU. > > XXXXXXX > Warning: tNCS is present but correction factors NOT applied > XXXXXXX > > > However, I found the following message from the log file: > XXXXXXXX > Large non-origin Patterson peaks indicate that multiple tNCS vectors are > present > Please analyse peaks for NMOL multiplicity > tNCS correction will NOT be applied > To activate tNCS correction, enter tNCS vector manually > XXXXXXXX > > I (think, I have) identified the t-vector (0.500 0.000 0.000) but, don't > know what parameters of Phaser to tweak with. Any suggestions or pointers > to related papers could be very helpful. > > I have a similar problem with another dataset of a different protein which > is nearly cylindrical. > > Thank, > Kaushik > > > On Saturday, 26 November 2016 11:46 PM, Randy Read <rj...@cam.ac.uk> > wrote: > > > Hi, > > That message should mean that you didn't ask for a number of molecules > divisible by the order of the tNCS. With that vector you need to search for > an even number of copies. > > Let me know if that doesn't explain what you're saying. > > Best wishes, > Randy Read > > ---- > Randy J. Read > > On 25 Nov 2016, at 21:27, KAUSHIK H.S. <000002b42c18251e-dmarc- > requ...@jiscmail.ac.uk> wrote: > > Hello, > > I have a crystal in C2 spacegroup (94.2073 148.003 72.9967 90 97.6686 90) > and Xtriage predicts 923 residues in ASU. My protein could be anywhere > between 95 to 110 residues long (assuming the terminals could be cleaved). > Using a homolog, Phaser gives me a solution with LLG=1072 and TFZ=45. > Molrep placed 4 protomers in the ASU however, the crystal packing is poor. > > I understand from Phaser that the tNCS is not accounted for (because the > structure is linear?). Is there a way the exact location of the tNCS > related protomers be predicted using information from SfCheck and Xtriage? > > Xtriage information: > Fraqc. coord. : 0.500 0.000 0.000 > Distance to origin: 47.104 > Height relative to origin: 79.688% > p_value(height) : 5.283e-07 > > SFCHECK: > Pseudo-translation is detected: 62.6% > Pseudo-translation vector: 0.500 0.000 0.000 > > Sorry if my question is too naive. > > Thanks in advance, > Kaushik Hatti, > Molecular Biophysics Unit, > Indian Institute of Science, > India. > > > >
