Table 3.
Refinement statistics
| Model refinement | |
| Resolution range for refinement, Å | 25.0–2.3 |
| No. of protein atoms | 848 |
| No. of water atoms | 19 |
| No. of heteroatoms (Tris and MPD) | 40 |
| rmsd bond lengths, Å | 0.006 |
| rmsd bond angles, ° | 0.840 |
| rmsd bonded mainchain B factors, Å2 | 1.44 |
| rmsd bonded sidechain B factors, Å2 | 2.08 |
| rRwork, % | 23.9 |
| rRfree, % | 25.9 |
| Anisotropic B factor (B11 B22 B33), Å2 | −18.5, 9.8, 8.7 |
| Average B factor, Å2 | 55.9 |
| Wilson B factor, Å2 | 47.7 |
| Ramachandran plot | 100% core |
*
Rwork = Σh | |Fobs(h)| − |Fcalc(h)| |/Σh|Fobs(h)|, where Fobs(h) and Fcalc(h) are the observed and calculated structure factors, respectively. No I/σ cutoff was applied.
†
Rfree is the R value obtained for a test set of reflections consisting of a randomly selected 10% subset of the complete data set excluded from refinement.