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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
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Dr. Bernhard Rupp, FRS
President, Societas Eruditorum
6487 Half Dome Court
Livermore, CA 94551
001 (925) 209-7429
+43 (676) 571-0536
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-----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
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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)
