Table 1.
Bond Lengths and Angles with Standard Uncertainties in the Guanidine Groups in Arginines
| N | CD‐NE | NE‐CZ | CZ‐NH1 | CZ‐NH2 | D‐E‐Z | E‐Z‐H1 | E‐Z‐H2 | H1‐Z‐H2 | |
|---|---|---|---|---|---|---|---|---|---|
| ARG resolution <1.0 Å, B<10 Å2 | |||||||||
| Average | 916 | 1.458 | 1.327 | 1.325 | 1.328 | 124.9 | 121.3 | 119.2 | 119.6 |
| RMSD | 916 | 0.012 | 0.011 | 0.013 | 0.012 | 1.4 | 1.0 | 1.0 | 10 |
| Min | 1.390 | 1.267 | 1.266 | 1.294 | 119.4 | 118.2 | 114.2 | 113.6 | |
| Max | 1.520 | 1.384 | 1.386 | 1.394 | 130.2 | 124.6 | 123.0 | 126.1 | |
| ARG resolution 2.50 Å, B<20 Å2 | |||||||||
| Aveage | 8183 | 1.458 | 1.332 | 1.328 | 1.327 | 124.5 | 120.8 | 119.6 | 119.5 |
| RMSD | 8183 | 0.012 | 0.011 | 0.010 | 0.011 | 2.3 | 1.5 | 1.4 | 1.3 |
| Min | 1.343 | 1.276 | 1.264 | 1.253 | 102.8 | 108.6 | 103.0 | 97.8 | |
| Max | 1.594 | 1.487 | 1.413 | 1.469 | 161.3 | 139.0 | 138.0 | 133.5 | |
| Frag/Struct | |||||||||
| CCP4 | 1.460 | 1.329 | 1.326 | 1.326 | 124.2 | 120.0 | 120.0 | 119.7 | |
| EH91 | 1.460 | 1.329 | 1.326 | 1.326 | 123.6 | 120.0 | 120.0 | 119.7 | |
| RMSD | 0.018 | 0.014 | 0.018 | 0.018 | 1.5 | 1.9 | 1.9 | 1.8 | |
| EH99 | 71/98 | 1.460 | 1.326 | 1.326 | 1.326 | 123.6 | 120.3 | 120.3 | 119.4 |
| RMSD | 0.017 | 0.013 | 0.013 | 0.013 | 1.4 | 0.5 | 0.5 | 1.1 | |
| CSD | |||||||||
| Average | 435/148 | 1.456 | 1.326 | 1.323 | 1.329 | 124.4 | 121.5 | 119.2 | 119.4 |
| RMSD | 0.014 | 0.011 | 0.014 | 0.013 | 1.4 | 1.0 | 0.9 | 1.3 |
EH91 and EH99 refer to the stereochemical target libraries provided in two compilations by Engh and Huber in 1991 (EH91) and 2001 (EH99). The PDB statistics correspond to Arg residues from crystal structures refined against resolution higher than 1.0Å and with B factor lower than 10Å2. The second PDB statistics is based on protein structures with data resolution declared as 2.5 Å and Arg residues with B factor smaller than 20 Å2. The CSD entries were selected using the R‐value criterion (R ≤ 7.5%)