In a case like this where you obv. have a strong NCS 2 fold, have you
considered searching with a dimer as the model - if there is a likely
model candidate.. Can save a lot of trouble..
Eleanor
A Hibbert wrote:
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Just figured out solution 2 is the crystallographic 2-fold (110 + 70 =
180). Solution 3 looks too weak to be significant. I think I'm
clutching at straws.
Sorry about my previous e-mail.
From: "A Hibbert" <[EMAIL PROTECTED]>
Just figured out solution 2 is the crystallographic 2-fold.
To: [email protected]
Subject: [ccp4bb]: More RFCORR/PHASER Questions
Date: Thu, 17 Nov 2005 20:47:58 +0000
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Sorry about all these questions, but I have a few more:
1) For general self-education, I tried out the RFCORR/AMORE script in
the RFCORR documentation. From what I understand, the X-rotation
function shouldn't need a .tab file (from TABLING) as normalized SFs
from the model are already calculated (and a TABLING run isn't
included in the example). Furthermore, the GENERATE command isn't
executed. However, AMORE complains that I haven't included a .tab
file. Does anyone know why?
2) Do you think it's more sensitive doing a LOCKED ROTATION in AMORE,
then doing a translational search in PHASER, or doing everything in
PHASER and then running RFCORR?
P.S: The crystal is P2(1) [64.0600 79.1400 71.0660 90.0000 110.9270
90.0000], with 2 molecules per ASU, and the following self-Patterson
solution(s) (quickly run in MOLREP):
#Sol_RF 1 0.00 0.00 0.00 270.00 0.00 90.00 3212. 26.18
Sol_RF 2 70.90 0.00 180.00 0.00 141.81 180.00 1238. 10.09
#Sol_RF 3 146.27 0.00 180.00 180.00 67.46 0.00 433.6 3.53
#Sol_RF 4 48.18 0.00 180.00 0.00 96.36 180.00 376.4 3.07
#Sol_RF 5 85.47 0.00 180.00 0.00 170.94 180.00 331.5 2.70
#Sol_RF 6 86.29 80.98 180.00 80.98 172.57 99.02 317.3 2.59
#Sol_RF 7 157.51 0.00 19.50 260.98 7.43 80.98 317.3 2.59
#Sol_RF 8 0.00 -45.00 170.44 170.44 0.00 0.00 294.4 2.40
#Sol_RF 9 0.00 45.00 -170.44 189.56 0.00 0.00 294.4 2.40
#Sol_RF 10 72.70 10.28 180.00 10.28 145.41 169.72 291.4 2.38
Thanks for the comments.
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