Re: [ccp4bb] XDS to MTZ for SOLVE

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: How to get rid of Membrane formed on hanging droplets?
From: Edwin Pozharski epozh001 {- at -} UMARYLAND {- dot -} EDU
Date: 2007-03-07

Next message:
Subject: Re: XDS to MTZ for SOLVE
From: "Santarsiero, Bernard D {- dot -} " bds {- at -} UIC {- dot -} EDU
Date: 2007-03-07

Subject: Re: XDS to MTZ for SOLVE
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-07

But SOLVE will read an mtz file?

I dont think you need to do this..
Eleanor

Santarsiero, Bernard D. wrote:
> Not purely a ccp4 question, but an MTZ file is involved, so stick with me.
>
> I've collected a SAD data set, and processed with XDS. I can use XDSCONV
> to generate an MTZ, SHELX, and CNS file. I chose the MTZ file since it
> keeps the intensities. SHELX does too (the F**2), but has separate lines
> for (h,k,l) and (-h,-k,-l). The MTZ file has hkl,IMEAN, SIGIMEAN, I+,
> SIGI+, I-, SIGI-.
>
> I used mtzdump (or could use MTZVARIOUS) to convert this file to a simple
> ASCII file, and then extracted just the hkl, I+, SIGI+, I-, SIGI-. Since
> CCP4 fills in all of the reflections in an ASU, I removed those reflection
> entries with SIGIMEAN = -999.0.
>
> I have a file with has some entries with -999 (for the non-measured
> value), especially those in the centric zones.
>
> For SOLVE, does it identify entries with a value of -999 as a placeholder,
> or should I entirely removed those from the data file? I used the options
>
> PREMERGED
> READFORMATTED
> READ_INTENSITIES
>
> in SOLVE. What if I measured I- but I+? That's why I left them all in.
>
> Suggestions on what is best for the solve run? I'm concerned that it's
> interpretting the -999 as a real measurement.
>
> Bernie Santarsiero
>
>
>

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: How to get rid of Membrane formed on hanging droplets?
From: Edwin Pozharski epozh001 {- at -} UMARYLAND {- dot -} EDU
Date: 2007-03-07

Next message:
Subject: Re: XDS to MTZ for SOLVE
From: "Santarsiero, Bernard D {- dot -} " bds {- at -} UIC {- dot -} EDU
Date: 2007-03-07