[phenixbb] question about SAD+MR

[crystallogrphy]

Dear all,
I have a Se-Met SAD data which diffracted to 2.8A (peak wavelength). The
space group is P1.
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.

 Now I want to use mocular replace (sequence identify ~0.26) plus SAD data
to give better map.
1. The result from MR is shown below and the density is poor as the sole SAD
map:
REMARK Log-Likelihood Gain:   121.374
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
2. I then tried to combine MR model and SAD data set
phenix.autosol seq_file=zntb-sd.seq sites=14 atom_type=Se
data=output-peak.sca sg="P1" cell="44.355 56.687 58.451 61.061 82.013
82.740" resolution=3.0 input_partpdb_file=AutoMR_run_1_/MR.1.pdb

The program failed to run with such error message:
Failed to carry out AutoSol_score_ha_solutions:

[Errno 2] No such file or directory:
'AutoSol_run_3_/TEMP0/phaser_mtz.hand.mtz'


I do not know where to get this phaser.mtz.hand.mtz file or how to generate
it. Does anyone know?

-- 
Qun Wan
Department of Pharmacology, Case Western Reserve University
10900 Euclid Avenue, Cleveland, OH 44106
email: qunwan1 at gmail.com
lab phone: 216-368-3337
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