Table 1.
Data collection | |
---|---|
Space group | C 2 |
Cell dimensions (Å/°) | a = 103.4; b = 52.9; c = 73.6 |
90; 130.8; 90 | |
Wavelength (Å) | 1.0 |
Resolution range (Å) | 50–2.3 |
Completeness (%)a | 85.5/43.2 |
Observed reflections | 28 367 |
Unique reflections | 11 612 |
Multiplicitya | 2.4/1.9 |
Rsym (%)a | 2.8/33.3 |
mean I/σa | 19.3/2.4 |
Refinement statistics | |
---|---|
Resolution range (Å) | 42.9–2.3 |
Rwork (%)/Rfree (%)b | 19.3/24.8 |
Average B‐factor (Åb) | 60.1 |
Protein | 59.8 |
Solvent | 64.6 |
Number of atoms | 1 878 |
Protein | 1 765 |
Ligand | 32 |
Water molecules | 81 |
RMSD bond lengths | 0.005 |
RMSD bond angles | 0.98 |
Ramachandran favored (%) | 95 |
Ramachandran allowed (%) | 0.45 |
PDB ID | 4YDS.pdb |
Overall/last shell.
Rfree is the cross‐validation R factor for 10% of reflections against which the model was not refined.