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2VB1: Difference between revisions
→Comparison of data processing: published (2006) vs XDS results
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== Data from XDS processing == | |||
I changed XSCALE.INP to have | |||
!FRIEDEL'S_LAW=TRUE ! by commenting it out XSCALE will use FRIEDEL'S_LAW=FALSE | |||
! since this is how the data were processed | |||
RESOLUTION_SHELLS=2.91 2.06 1.68 1.45 1.30 1.19 1.10 1.03 0.97 0.92 0.88 0.84 0.80 0.76 0.73 0.70 0.67 0.65 0.64 0.63 | |||
and ran XSCALE again, to get a file with reflections to 0.63 A. | |||
Conversion to other program systems is performed with XDSCONV. XDSCONV.INP for producing a MTZ file with intensities and anomalous signal is: | |||
INPUT_FILE= lys-xds.ahkl | |||
OUTPUT_FILE=temp.hkl CCP4_I | |||
After running xdsconv, I cut-and-paste the screen output: | |||
f2mtz HKLOUT temp.mtz<F2MTZ.INP | |||
cad HKLIN1 temp.mtz HKLOUT output_file_name.mtz<<EOF | |||
LABIN FILE 1 ALL | |||
END | |||
EOF | |||
and obtain output_file_name.mtz which I mv to [ftp://turn5.biologie.uni-konstanz.de/pub/xds-datared/2vb1/xds-hewl-I.mtz xds-hewl-I.mtz]. SFCHECK statistics for this file are [ftp://turn5.biologie.uni-konstanz.de/pub/xds-datared/2vb1/sfcheck_XXXX.pdf here]. | |||
Similarly, using OUTPUT_FILE=temp.hkl CCP4 I obtained a file with amplitudes, [ftp://turn5.biologie.uni-konstanz.de/pub/xds-datared/2vb1/xds-hewl-F.mtz xds-hewl-F.mtz] | |||