<html dir="ltr">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style id="owaParaStyle" type="text/css">P {margin-top:0;margin-bottom:0;}</style>
</head>
<body ocsi="0" fpstyle="1">
<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;"><span dir="ltr"><font face="Tahoma" size="2"><span style="font-size:10pt;"><span dir="ltr"><font face="Tahoma" size="2"><span style="font-size:10pt;">Hello,<br>
</span></font></span><br>
I am using phenix ensemble to refine an X-ray structure of a protein (40kDa) at 1.05 A in complex with a ligand.<br>
<br>
The occupancy of the ligand is 73%. After refining the structure, I found out that the program confused the position of the ligand and put some water molecules.<br>
<br>
Do you have any suggestion or a command to avoid this problem.<br>
<br>
If you need details I can send you the mtz and pdb files.<br>
<br>
Thanks in advance.<br>
<br>
Firas Fadel<br>
<br>
<div style="margin-top:0;margin-bottom:0;"><font color="black">Firas FADEL</font></div>
<div style="margin-top:0;margin-bottom:0;"><font color="black"><font face="Tahoma,sans-serif"><span lang="fr">Institut de G�n�tique et de Biologie Mol�culaire et Cellulaire, IGBMC
</span></font><font face="Tahoma,sans-serif"><span lang="fr"><br>
Equipe Alberto PODJARNY, </span></font><font face="Tahoma,sans-serif"><span lang="fr"><br>
1 Rue Laurent Fries, 67404 Illkirch-France </span></font><font face="Tahoma,sans-serif"><span lang="fr"><br>
Email : </span></font><a href="mailto:fadel@igbmc.fr" target="_blank"><font face="Tahoma,sans-serif"><span lang="fr">fadel@igbmc.fr</span></font></a><font face="Tahoma,sans-serif"><span lang="fr">
</span></font><font face="Tahoma,sans-serif"><span lang="fr"><br>
Tel: </span></font><a href="tel:%2B%2033%20%280%29%203%2088%2065%2033%2013" target="_blank"><font face="Tahoma,sans-serif"><span lang="fr">+ 33 (0) 3 88 65 33 13</span></font></a><font face="Tahoma,sans-serif"><span lang="fr"><br>
</span></font></font></div>
</span></font></span></div>
</body>
</html>