Dear all,<br>I have a Se-Met SAD data which diffracted to 2.8A (peak wavelength). The space group is P1.<br>The map from SAD autosol and autobuild still gives crappy map, I can only see one continous alpha-helix density with all other density fragmented and difficult to identify. I suppose it is because of high mosaicity (1.5), low data redundency, and some radiation damage. <br>
<br> Now I want to use mocular replace (sequence identify ~0.26) plus SAD data to give better map.  <br>1. The result from MR is shown below and the density is poor as the sole SAD map:<br>REMARK Log-Likelihood Gain:   121.374<br>
REMARK  RFZ=3.4 TFZ=100.0 PAK=0 LLG=29 RFZ=3.7 TFZ=5.4 PAK=0 LLG=69 RFZ=6.1 TFZ=4.0 PAK=0 LLG=97 RFZ=5.6 TFZ=5.0 PAK=0 LLG=118 LLG=121<br>2. I then tried to combine MR model and SAD data set<br>phenix.autosol seq_file=zntb-sd.seq sites=14 atom_type=Se data=output-peak.sca sg=&quot;P1&quot; cell=&quot;44.355 56.687 58.451 61.061 82.013 82.740&quot; resolution=3.0 input_partpdb_file=AutoMR_run_1_/MR.1.pdb<br>
<br>The program failed to run with such error message:<br>Failed to carry out AutoSol_score_ha_solutions:<br><br>[Errno 2] No such file or directory: &#39;AutoSol_run_3_/TEMP0/phaser_mtz.hand.mtz&#39;<br><br><br>I do not know where to get this phaser.mtz.hand.mtz file or how to generate it. Does anyone know?<br clear="all">
<br>-- <br>Qun Wan<br>Department of Pharmacology, Case Western Reserve University<br>10900 Euclid Avenue, Cleveland, OH 44106<br>email: <a href="mailto:qunwan1@gmail.com">qunwan1@gmail.com</a><br>lab phone: 216-368-3337<br>