rerun truncate with input amplitudes..
eleanor
James Pauff wrote:
> If I've lost my SCALA MTZ, and have only the truncated.mtz for my dataset, which program is the quickest means of obtaining a Wilson plot?
>
> Thank you again,
> Jim
>
>
> --- On Wed, 8/20/08, Eleanor Dodson <[log in to unmask]> wrote:
>
>
>> From: Eleanor Dodson <[log in to unmask]>
>> Subject: Re: [ccp4bb] Lower completeness, decent R factors, but low B factor...
>> To: [log in to unmask]
>> Date: Wednesday, August 20, 2008, 4:30 AM
>> James Pauff wrote:
>>
>>> Hello all,
>>>
>>> I have a refined structure at 2.6 angstroms that at
>>>
>> about 73% completeness at this resolution. The I/sigma is
>> about 2.0 at 2.6 angstroms, and the omit density for my
>> ligands is great contoured at 3.0sigma. My Rcryst is 19 or
>> so and the Rfree is 24.5 or so.
>>
>>> HOWEVER, my mean B value is 13.9, whereas my other 2
>>>
>> structures (at 2.2 and 2.3 angstroms, same protein, >95%
>> completeness) have mean B values of 22+. Any suggestions as
>> to what is going on here? I'm having trouble explaining
>> this.
>>
>>> Thank you,
>>> Jim
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>> Have you used TLS - listed B factors will then be given
>> relative to the
>> TLS parameters. You need to run tLSANL to get a more
>> realistic value.
>> Eleanor
>>
>>
>> But in fact temperature factors are rather harder to
>> estimate at lower
>> resolutions than higher. Look at your <Fo> and
>> <Fc> curves v resolution
>> ( part of a REFMAC loggraph) and you can see that sometimes
>> the overall
>> scaling struggles to get a reasonable fit..
>>
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