Hi Marco:
short comments (I sent you also a private mail):
- the stats in CORRECT.LP look ok, but I'd like to know what ISa is, and what
the number of outliers is ("misfits"). Seeing the delta-CC1/2 stats as a
function of frame number is also useful for judging e.g. the radiation damage -
this is available from XDSGUI in the "statistics" tab. Another remark:
SPOT_RANGE=1 11 in COLSPOT will sample reciprocal space poorly - I always use
the first half of the DATA_RANGE as SPOT_RANGE, at a negligible cost in CPU
time.
- the Phaser logfile shows that the rotation function (table at line 1344) has
only a single solution, but the translation function (table at line 7028) does
not even allow to determine the space group - there is very little contrast
difference between potential "solutions".
Best wishes,
Kay
On Tue, 20 Feb 2024 21:45:12 +0000, Marco Bravo <[email protected]> wrote:
>https://www.dropbox.com/scl/fo/pmw9nisdmq53yir2jqcmu/h?rlkey=zaj6cnknkjgkowrzf0vrmqdyf&dl=0
>
>
>Here is a link to my Molecular replacement and asymmetric unit contents
>logfiles.
>
>I ran Simple molecular replacement phaser MR through ccp4 cloud with my .mtz
>that was auto-processed at the ALS light source Beamline 831. I truncated my
>Alphaphold model into several domains as suggested and ran separate MR jobs.
>All of them are still running but one MR job for just one of the helicase
>domains finished and that is the molecular replacement job logfile i have
>posted.
>
>I also posted my Data collection output for the crystal in the dropbox file.
>
>I also attached my XDS.INP and XDSCONV.INP files for more troubleshooting help.
>
>Thank you all for helping me I hope this provides more information to help
>figure out what is going on. I can post more information if needed.
>
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