Hi,<br>I am trying to refine a structure with a bound ligand "PAR".<br>Unfortunately, input b-factor of the ligand and output values are matching exactly even tough I copied the ligand from a different structure.<br>
I manually changed the occupancy of the ligand to see if it changes the b-factor but again B-factor didn't change.<br>Can someone help me to solve this issue?<br>Below, I attached the first four lines of the pdb after occupancy change.<br>
<br>input<br>"HETATM51786 C11 PAR V 1 140.982 67.469 10.830 1.00 58.13 C <br>HETATM51787 O11 PAR V 1 140.549 68.782 10.389 1.00 58.13 O <br>HETATM51788 C21 PAR V 1 139.714 66.811 11.362 1.00 58.13 C <br>
HETATM51789 N21 PAR V 1 138.632 66.819 10.352 1.00 58.13 N " <br><br>output<br>"HETATM51828 C11 PAR V 1 157.285 114.375 -64.249 0.80 58.13 C <br>HETATM51829 O11 PAR V 1 157.335 115.251 -65.379 0.80 58.13 O <br>
HETATM51830 C21 PAR V 1 158.559 113.509 -64.364 0.80 58.13 C <br>HETATM51831 N21 PAR V 1 159.738 114.342 -64.677 0.80 58.13 N" <br><br><br>Thanks.<br><br>-- <br>Hasan DeMirci, Ph.D.<br>
Postdoctoral Fellow<br>Department of Molecular Biology, Cellular Biology & Biochemistry<br>Brown University<br>185 Meeting Street<br>Providence, RI 02912<br><br>(401) 863-3652 lab (SFH)<br>(401) 863-6124 lab (ship st)<br>
(401) 226-7852 cell<br><br>Hasan_DeMirci@Brown.edu<br><a href="mailto:demircha99@gmail.com">demircha99@gmail.com</a><br><br>