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Dear All,<br>
<br>
I am trying to use a set of MAD data integrated with MOSFLM in phenix.
But when I ran autosol, I've got the following error in the log file:<br>
<br>
<tt>....<br>
<font color="#3333ff"></font>Unable to analyze
/home/wai/dbe15_sh/SeM8/phnx/sem8_remo.mtz with xtriage</tt><br>
<font color="#3333ff">(a total of 3 instances of this)<br>
</font><tt>...<br>
AutoSol_setup_for_scaling AutoSol Run 8 Fri Dec 4 23:18:59 2009<br>
<br>
Shifting to Automatic mode....<br>
RESOLUTION 2.5<br>
SOLVENT_FRACTION 0.54<br>
RESIDUES 364<br>
MAD-N-HA 14<br>
NCS-COPIES 2<br>
Setting up for scaling dataset <br>
resolution: 2.5<br>
solvent_fraction: 0.54<br>
Scoring criteria will be: ['SKEW', 'CORR_RMS']<br>
Scoring method will be: BAYES-CC<br>
<br>
AutoSol_scale_and_analyze_mad AutoSol Run 8 Fri Dec 4 23:18:59 2009<br>
<br>
scale_and_analyze_mad for dataset 1<br>
file type :ccp4_unmerged ccp4_unmerged<br>
merge type :unmerged<br>
Testing anisotropy in /home/wai/dbe15_sh/SeM8/phnx/sem8_peak.mtz ...<br>
Applying overall anisotropic B correction to
/home/wai/dbe15_sh/SeM8/phnx/sem8_peak.mtz to yield
AutoSol_run_8_/TEMP0/ANISO_sem8_peak.mtz.sca<br>
Overall B set to minimum of the trace of B values<br>
Unable to get range of aniso B from xtriage output<br>
Multiple equally suitable arrays of observed xray data found.<br>
<br>
********************************************************************************<br>
Failed to carry out AutoSol_scale_and_analyze_mad:<br>
<br>
Sorry, there is something wrong with the file
/home/wai/dbe15_sh/SeM8/phnx/sem8_peak.mtz ... xtriage cannot analyze
it?<br>
********************************************************************************<br>
</tt><br>
<br>
THIS IS MY parameters input to phenix.autosol:<br>
<br>
<tt>autosol {<br>
seq_file = dbe15.seq<br>
sites = 14<br>
atom_type = Se<br>
<br>
crystal_info {<br>
resolution = 2.5<br>
space_group = P212121<br>
}<br>
<br>
wavelength {<br>
data = sem8_peak.mtz<br>
labels = "I, SIGI, M_ISYM"<br>
lambda = 0.9794<br>
f_prime = -7.83<br>
f_double_prime = 5.97<br>
}<br>
wavelength {<br>
data = sem8_edge.mtz <br>
labels = "I, SIGI, M_ISYM"<br>
lambda = 0.9796<br>
f_prime = -9.72<br>
f_double_prime = 3.08<br>
}<br>
wavelength {<br>
data = sem8_remo.mtz <br>
labels = "I, SIGI, M_ISYM"<br>
lambda = 09719<br>
f_prime = -4.11<br>
f_double_prime = 3.85<br>
}<br>
}<br>
</tt><br>
<br>
<br>
<br>
<br>
Can some guru help me? I can send the mtz file if needed.<br>
<br>
<pre class="moz-signature" cols="72">--
Yu Wai Chen, PhD........................................Lecturer
King's College London, Randall Division +44-207-848-8206
New Hunt's House, Guy's Campus, London SE1 1UL, U.K.
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