Table 4.
refinement and model statistics
| Resolution range (Å) | 21.5-2.6 (2.69-2.60) |
|---|---|
| Number of reflections used for Rcryst calculation | 21,429 |
| Number of reflection used for the Rfree calculation | 1,097 |
| Data cutoff F/σ(F) | 0.0 |
| Rcrysta (%) | 22.5 (31.4) |
| Rfree (%) | 24.2 (39.8) |
| Number of non-hydrogen protein atoms | 3,804 |
| Number of water molecules | 21 |
| Mean B factor, protein main chain atoms (Å2) | 25.2 |
| Mean B factor, protein side chain atoms (Å2) | 27.1 |
| Mean B factor, solvent atoms (Å2) | 23.1 |
| Ramachandran plot | |
| Residues in most favored regions (%) | 96.9 |
| Residues in additionally allowed regions (%) | 3.1 |
| Rmsd from ideal geometry | |
| Bond length (Å) | 0.008 |
| Bond angle(°) | 1.2 |
a
values indicated in parentheses correspond to the highest resolution shell Rcryst= □ ||Fobs|-|Fcalc||/ □ |Fobs|. Rfree is the same as Rcryst but calculated for 4.9 % of the data omitted from the refinement.