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. 2022 Oct 18;11:e76630. doi: 10.7554/eLife.76630

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.