Table 2.
Structure statistics
| Structure refinement and model | Native | DFP-derivate |
| Residue range (molA/molB) | 15–391/15–391 | 15–391/15–391 |
| No. nonhydrogen atoms (molA/molB) | 2836/2836 | 2846/2846 |
| No. water molecules | 354 | 571 |
| Hetero atoms | 16 | |
| Resolution range (Å) (completeness in %) | 20.0–2.0 (83) | 15–1.8 (95) |
| R/Rfree | 18.4/24.7 | 17.6/23.5 |
| rms deviation from ideal geometry | ||
| Bond length (Å) | 0.012 | 0.027 |
| Bond angles (°) | 1.73 | 1.89 |
| Dihedral angles (°) | 24.64 | 25.5 |
| Improper torsions (°) | 1.81 | 1.37 |
| Ramachandran plot (with PROCHECK) | ||
| Core regions (%) | 89 | 90 |
| Allowed regions (%) | 10 | 10 |
| Generously allowed regions (%) | 0.7 | 0.2 |
| Not allowed regions (%) | 0.0 | 0.0 |
| Temperatur factor model | ||
| Average temperatur factor (all atoms ) (Å2) | 12 | 23 |
| Temperatur factor (mainchain) (Å2) | ||
| Average (molA/molB) | 10.3/11.2 | 19/21 |
| Maximum (molA/molB) | 41.5/34.2 | 93/75 |
| Temperatur factor (sidechain) (Å2) | ||
| Average (molA/molB) | 11.2/12.4 | 23/25 |
| Maximum (molA/molB) | 45.3/50.4 | 101/117 |
| Superposition of NCS-related residues 15–391 | ||
| Deviation Cα atoms rms | 0.27 | 0.27 |
| Deviation all atoms rms | 0.74 | 0.77 |