Dear all,
The last resolution shell is 3.1-3.2 Å. I corrected high resolution Rmerge and
Rmeas which seemed truncated, and added cc1/2. Rsym is Rpim which was a typo.
Resolution range (Å) 49.2-3.1
49.3-3.1
Rfactor (%) 24.0 (32.4)
23.4 (32.0)
Rfree (%) 26.6 (29.2)
26.3 (31.6)
Data collection
Completeness 100 (100)
100 (100)
Redundancy 6.9 (7.0)
6.2 (6.3)
Molecules in asymmetric unit 1
1
Average I/σ 14.1 (1.7)
15.3 (2.0)
Rmerge (%) 14.9 (169.4)
12.7 (131.8)
Rmeas (%) 16.2 (183.2)
13.9 (143.9)
Rpim (%) 6.2 (68.6)
5.5 (57.1)
Wilson B-factor 65.6
62.7
cc1/2 0.997 (0.561)
0.998 (0.616)
> On Apr 16, 2019, at 2:21 PM, Diana Tomchick
> <[email protected]> wrote:
>
> Why are the the values for R(free) in parentheses higher than R(factor) in
> parentheses? I would not expect that to happen, if the same resolution limits
> for the last shell are used for both values. And I echo the previous
> commentator, please provide the resolution limits for the values in
> parentheses.
>
> What exactly is R(factor) in this case? The R(work), or the [R(work) +
> R(free)]? Please define.
>
> Diana
>
> **************************************************
> Diana R. Tomchick
> Professor
> Departments of Biophysics and Biochemistry
> UT Southwestern Medical Center
> 5323 Harry Hines Blvd.
> Rm. ND10.214A
> Dallas, TX 75390-8816
> [email protected] <mailto:[email protected]>
> (214) 645-6383 (phone)
> (214) 645-6353 (fax)
>
> On Apr 16, 2019, at 11:57 AM, Jan van Agthoven <[email protected]
> <mailto:[email protected]>> wrote:
>
> Hi everyone,
> I’m trying to publish two structures at 3.1Å resolution with the following
> refinement statistics:
>
> Resolution range (Å) 49.2-3.1
> 49.3-3.1
> Rfactor (%) 24.0 (32.4)
> 23.4 (32.0)
> Rfree (%) 26.6 (29.2)
> 26.3 (31.6)
>
> Data collection
> Completeness 100 (100)
> 100 (100)
>
> Redundancy 6.9 (7.0)
> 6.2 (6.3)
>
> Molecules in asymmetric unit 1
> 1
>
> Average I/σ 14.1 (1.7)
> 15.3 (2.0)
>
> Rmerge (%) 14.9 (100)
> 12.7 (100)
>
> Rmeas (%) 16.2 (100)
> 13.9 (100)
>
> Rsym (%) 6.2 (68.6)
> 5.5 (57.1)
> Wilson B-factor 65.6
> 62.7
>
> I’ve been told that the Rfree factor in the last shell are too high. Does
> anyone know how I can improve these Rfree factors other then cutting the
> resolution, which already is rather low?
>
>
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>
> Medical Center
>
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