*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
At 1.75A, I would expect your B-factors to be around 27. B = 79*u^2
(Debye & Waller) and u ~ dmin/3 because the FWHM of a sine wave is ~1/3
of its period.
What makes you think they should be 5-9?
-James Holton
MAD Scientist
Frederico Moraes Ferreira wrote:
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Res. 1.75 ang
current Rfactor .1620
wilson plot Bfactor 29.8 (from sfcheck)
the coot electron density fit looks fine with few outliers.
I think it must be something wrong. Bmins should be 5-9
fred, still puzzled
Bernhard Rupp wrote:
Seems perfectly ok. depends on overall B scaling as well.
Resolution was what?
best, br
-----------------------------------------------------------------
Dr. Bernhard Rupp, FRS
President, Societas Eruditorum
6487 Half Dome Court
Livermore, CA 94551
001 (925) 209-7429
+43 (676) 571-0536
[EMAIL PROTECTED]
-----------------------------------------------------------------
This message may contain confidential and proprietary information
intended only for the use of the addressee named above. If you are
not the intended recipient of this message you are hereby notified
that any use, dissemination, distribution or reproduction of this
message is prohibited. If you have received this message
in error please notify q.e.d. life sciences immediately.
Please be advised that q.e.d. reserves the right to monitor,
access and review all messages, data and images transmitted through
our e-mail system. By using our e-mail system, you consent to this
monitoring.
-----------------------------------------------------------------
-----Original Message-----
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of
Frederico Moraes Ferreira
Sent: Friday, March 17, 2006 9:38 AM
To: CCP4 bulletin board
Subject: [ccp4bb]: hi b-factor on refmac refinement
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
hi everybody,
I've got too hight B-factors for main chain atoms on refinement with
refmac
- the latest version. The refinement
settings are essentially the defaults from GUI. Reset B-factors to
20.00 or to
0.00 didn't help anything. I was waiting main chains Baves around
10-20 and
Bmins around 5-10 (see results bellow). Is there something else
to do? Clues are appreciated.
Thanks in advance,
fred
MOLEMAN2 > sel and cla main
AND atom selection
With atoms for which : (CLA)
Equals : (MAIN)
Selection history : (NON-HYDROGEN | AND CLass =
Main |)
Nr of selected atoms : ( 2816)
MOLEMAN2 > bf st
Chain name Atoms Bave Bsdv Bmin Bmax Brms Bharm.av
A<-> 1496 27.06 4.54 21.15 48.39
27.44 26.45
B<-> 1320 27.83 4.73 20.35 51.10
28.23 27.18
Nr of chains encountered : ( 4)
