-- Forwarded message --
From: Polisetty Satya Dev <pvss...@gmail.com>
Date: Mon, Mar 20, 2017 at 1:35 PM
Subject: Re: [ccp4bb] No improvement in R-factor after Refmac.
To: Sudipta Bhattacharyya <sudiptabhattacharyya.iit...@gmail.com>
Hi,
I had tried running xtriage
; I do not know how to approach publishing these results since most
>> referees will argue
>> that such R-factors may be acceptable at 4A resolution but not close to 2
>> Angstrom.
>>
>> Best wishes,
>>
>> Misha Isupov
>> ____________
group.
> >>
> >> Thank You,
> >> Satya Dev
> >>
> >> On Fri, Mar 17, 2017 at 8:03 PM, Teplyakov, Alexey [JRDUS] <
> atepl...@its.jnj.com> wrote:
> >> Check the space group. It may be orthorhombic with a pure rotational
> axis (e.g. P21
:29 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] No improvement in R-factor after Refmac.
Hi,
I was just going to make the same point! The only thing to add is that, if
there really is translational NCS (which is certainly possible with 4 copies in
the a.u.), then it’s essential both
Check the space group. It may be orthorhombic with a pure rotational axis
>> (e.g. P21212) or even monoclinic.
>>
>>
>>
>> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
>> Polisetty Satya Dev
>> Sent: Friday, March 17, 2017 9:5
rom: CCP4 bulletin board
[mailto:CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] On Behalf Of
Polisetty Satya Dev
Sent: Friday, March 17, 2017 9:51 AM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: [EXTERNAL] [ccp4bb] No improvement in R-factor after Refmac.
D
Hi,
We ran Scala program with 2 A resolution cut-off and it gave mean I / sig I
value as follows
Overall: 7.3 OuterShell: 2.0 InnerShell: 16.5
CC(1/2) : Overall: 0.994 OuterShell: 0.665 InnerShell: 0.997
We also tried Scala with 2.33 A resolution cut-off and the statistics are
as
ISCMAIL.AC.UK
> *Subject:* [EXTERNAL] [ccp4bb] No improvement in R-factor after Refmac.
>
>
>
> Dear all,
>
> I solved a structure at 2.0 A resolution with R-work and R-free values
> 0.25 and 0.32 respectively and I am stuck at Refmac step where there is no
> further reducti
One way is to refine the best chain out of four, first and then generate a
seperate pdb for that chain only and use molecular replacement to find the
rest of the three chains. It does help with improving map to certain
extent. Also delete the missing residues one by one and then run refmac to
see
Dear all,
I solved a structure at 2.0 A resolution with R-work and R-free values 0.25
and 0.32 respectively and I am stuck at Refmac step where there is no
further reduction in R-factor.
The above stated values were obtained after several rounds of manual
refinement followed by refmac. There are
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