Crystallography‎ > ‎Refinement‎ > ‎

Stereochemical restraints

Typical values?

rmsBOND 0.01
rmsANGLE 1.0


Better read these:

P. R. Evans
An introduction to stereochemical restraints
Acta Cryst. (2007). D63, 58-61
[doi:10.1107/S090744490604604X]

Jaskolski et al.
Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them?
Acta Crystallogr D Biol Crystallogr (2007) vol. 63 (Pt 5) pp. 611-20
[http://dx.doi.org/10.1107/S090744490700978X]

Stec et al.
Comment on Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them?
Jaskolski, Gilski, Dauter & Wlodawer (2007) Acta Crystallogr D Biol Crystallogr (2007) vol. 63 (Pt 10) pp. 1113-4
[http://dx.doi.org/10.1107/S0907444907041406]

Tickle et al.
Experimental determination of optimal root-mean-square deviations of macromolecular bond lengths and angles from their restrained ideal values
Acta Crystallogr D Biol Crystallogr (2007) vol. 63 (Pt 12) pp. 1274-81
[http://dx.doi.org/10.1107/S0907444907050196]

Jaskolski et al.
Numerology versus reality: a voice in a recent dispute
Acta Crystallogr D Biol Crystallogr (2007) vol. 63 (Pt 12) pp. 1282-3
[http://dx.doi.org/10.1107/S0907444907049359]