Hi there,
"acceptable" deviations from ideal geometry depends on the resolution of
the data set. There are several papers dealing with this, including the
paper describing the tool used in Phenix.
I couldn't find the resolution of the data set used during refinement in
your mail so it is difficult to compare the data given to that expected
for a well refined structure at that resolution.
Fred.
PS the figures shown do not seem to be totally unreasonable. The r.m.s.
deviations concerning the angles could be improved though IMHO - again
not knowing the resolution of the data set
On 02/10/12 23:49, Faisal Tarique wrote:
>
> Dear all
>
> i request you to please answer my basic query about the ideal
> acceptable rmsbond length obtained during refmac refinement..is the
> data acceptable in mine case which is as follows..
>
>
> Ncyc Rfact Rfree FOM -LL -LLfree rmsBOND
> zBOND rmsANGL zANGL rmsCHIRAL $$
> $$
> 0 0.2090 0.2079 0.875 226315. 11985.5 0.0278
> 1.389 2.718 1.261 0.198
> 1 0.2064 0.2284 0.850 226313. 12201.1 0.0285
> 1.427 2.733 1.271 0.204
> 2 0.2076 0.2373 0.837 226944. 12289.9 0.0248
> 1.242 2.598 1.200 0.187
> 3 0.2092 0.2429 0.828 227495. 12341.7 0.0222
> 1.107 2.458 1.128 0.173
> 4 0.2100 0.2468 0.822 227753. 12372.4 0.0211
> 1.053 2.377 1.086 0.166
> 5 0.2104 0.2500 0.818 227942. 12395.7 0.0204
> 1.021 2.326 1.061 0.161
> 6 0.2108 0.2522 0.814 228075. 12411.5 0.0200
> 0.999 2.289 1.042 0.158
> 7 0.2111 0.2537 0.812 228162. 12421.8 0.0197
> 0.984 2.265 1.030 0.156
> 8 0.2113 0.2550 0.810 228228. 12430.5 0.0194
> 0.971 2.243 1.020 0.154
> 9 0.2114 0.2559 0.809 228300. 12436.1 0.0192
> 0.962 2.228 1.012 0.153
> 10 0.2116 0.2568 0.808 228348. 12441.7 0.0191
> 0.957 2.218 1.008 0.152
> 11 0.2118 0.2574 0.807 228394. 12446.2 0.0190
> 0.951 2.210 1.004 0.151
> 12 0.2119 0.2581 0.806 228421. 12449.6 0.0189
> 0.948 2.203 1.001 0.151
> 13 0.2119 0.2585 0.805 228440. 12452.7 0.0189
> 0.944 2.198 0.998 0.150
> 14 0.2120 0.2590 0.805 228461. 12455.0 0.0188
> 0.941 2.194 0.996 0.150
> 15 0.2121 0.2593 0.804 228480. 12456.9 0.0188
> 0.939 2.190 0.995 0.150
>
>
> --
> Regards
>
> Faisal
> School of Life Sciences
> JNU
>
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
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