There was an update by E&H in 2001 in the International Tables Vol F. There are a small number of modifications to the 1991 values in the update as well as the addition of several conformational variabilities. If I understand correctly, Refmac and Phenix use the 2001 values, with the only conformational variability being some changes with cis-peptide bonds. Shelxl still uses E&H 1991. Dale Tronrud On 01/14/13 09:54, Ed Pozharski wrote: > To what extent "modern" geometric restraints have been upgraded over > original Engh&Huber? And where I can find a consensus set of values > (with variances)? > > For example, Fisher et al., Acta D68:800 discusses how histidine angles > change with protonation, and refers to Engh&Huber when it says that > ND1-CE1-NE2 goes from 111.2 to 107.5 when histidine acquires positive > charge (Fig.6). But angle table (Table 3) in original Engh&Huber from > 1991 does not have any 107.5 value and seems to suggest that the numbers > should rather be 111.7+-1.3 and 108.4+-1.0, respectively. > > I understand that these values are derived from structural databases and > thus can be frequently updated. Is there some resource where "most > current" values would be listed? > > Cheers, > > Ed. >