[phenixbb] B-Factor issue

[Hasan Demirci]

Hi,
I am trying to refine a structure with a bound ligand "PAR".
Unfortunately, input b-factor of the ligand and output values are matching
exactly even tough I copied the ligand from a different structure.
I manually changed the occupancy of the ligand to see if it changes the
b-factor but again B-factor didn't change.
Can someone help me to solve this issue?
Below, I attached the first four lines of the pdb after occupancy change.

input
"HETATM51786  C11 PAR V   1     140.982  67.469  10.830  1.00
58.13           C
HETATM51787  O11 PAR V   1     140.549  68.782  10.389  1.00 58.13
O
HETATM51788  C21 PAR V   1     139.714  66.811  11.362  1.00 58.13
C
HETATM51789  N21 PAR V   1     138.632  66.819  10.352  1.00 58.13
N "

output
"HETATM51828  C11 PAR V   1     157.285 114.375 -64.249  0.80
58.13           C
HETATM51829  O11 PAR V   1     157.335 115.251 -65.379  0.80 58.13
O
HETATM51830  C21 PAR V   1     158.559 113.509 -64.364  0.80 58.13
C
HETATM51831  N21 PAR V   1     159.738 114.342 -64.677  0.80 58.13
N"


Thanks.

-- 
Hasan DeMirci, Ph.D.
Postdoctoral Fellow
Department of Molecular Biology, Cellular Biology & Biochemistry
Brown University
185 Meeting Street
Providence, RI    02912

(401) 863-3652 lab (SFH)
(401) 863-6124 lab (ship st)
(401) 226-7852 cell

Hasan_DeMirci at Brown.edu
demircha99 at gmail.com
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