Data collection | |
 Wavelength (Å) | 0.9787 |
 Resolution range (Å) | 123.90–1.97 (2.08–1.97) |
 Space group | P 21 21 21 |
 Unit cell | 50.15123.90135.16 90 90 90 |
 Total reflections | 400,847 |
 Unique reflections | 55,766 (6816) |
 Multiplicity | 7.2 (7.2) |
 Completeness (%) | 92.43 (78.50) |
 Mean I/sigma (I) | 21.5 (1.99) |
 Wilson B-factor | 35.34 |
 R-merge (%) | 5.2 (82.3) |
Refinement | |
 Resolution range (Å) | 50.01–1.97 (2.02–1.97) |
 Number Reflections/unique | 55,679 / 52,861 (4186) |
 Completeness (%) | 92.43 (99.98) |
 Mean I/sigma(I) | 19.8 (2.0) |
 Reflection used for Rfree (%) | 5.1 |
 R-work (%) | 17.3 (24.7) |
 R-free (%) | 21.2 (29.0) |
 Number of non-hydrogen atoms | 5890 |
 Macromolecules | 5491 |
 Water | 399 |
 Protein residues | 700 |
 RMS (bonds) | 0.019 |
 RMS (angles) | 1.79 |
 Ramachandran favored (%) | 97.4 |
 Ramachandran allowed (%) | 2.5 |
 Ramachandran outliers (%) | 0.1 |
 Clashscore | 2.59 |
 Average B-factor | 45.35 |
 Macromolecules | 45.06 |
 Solvent | 49.30 |