Table 1. Solution structure statistics for VcRfaH-KOW.
| Experimental derived restraints | ||
|---|---|---|
| Distance restraints | ||
| NOEs unique (total) | 630 (734) | |
| Intraresidual | 59 | |
| Sequential | 187 | |
| Medium range | 89 | |
| Long range | 295 | |
| Hydrogen bonds | 2 · 18 | |
| Dihedral restraints | 76 | |
| Restraint violation | ||
| Average distance restraint violation (Å) | 0.002584±0.000700 | |
| Maximum distance restraint violation (Å) | 0.12 | |
| Average dihedral restraint violation (°) | 0.0654±0.0265 | |
| Maximum dihedral restraint violation (°) | 0.71 | |
| Deviation from ideal geometry | ||
| Bond length (Å) | 0.000544±0.000039 | |
| Bond angle (Å) | 0.1096±0.0056 | |
| Coordinate precision*,† | ||
| Backbone heavy atoms (Å) | 0.32 | |
| All heavy atoms (Å) | 0.90 | |
| Ramachandran plot statistics‡ (%) | 91.8/7.9/0.2/0.1 |
The precision of the coordinates is defined as the average atomic root mean square difference between the accepted simulated annealing structures and the corresponding mean structure calculated for the given sequence region.
Calculated for residues 116–165.
Ramachandran plot statistics are determined by PROCHECK and noted by most favored/ additionally allowed/generously allowed/disallowed.