Table 1.
Resolution range (Å) | 85.89–6.56 (6.79–6.56) |
Space group | P212121 |
Unit cell | 130.8 (±3.3) 227.8 (±2.7) 308.6 (±3.8) 90 90 90 |
Total reflections | 873,209 |
Unique reflections | 17,962 (1,446) |
Multiplicity | 26 (2.8) |
Completeness (%) | 98.1 (81.8) |
Mean I/sigma (I) | 16.9 (4.8) |
Rwork | 0.366 (0.447) |
Rfree | 0.385 (0.448) |
Number of atoms | 50,232 |
Macromolecules | 41,052 |
Ligands | 9,180 |
Protein residues | 5,270 |
rms (bonds, Å) | 0.007 |
rms (angles, °) | 1.48 |
Ramachandran favored (%) | 87 |
Ramachandran outliers (%) | 2.2 |
Clashscore | 37.1 |
Average B-factor | 150.2 |
Macromolecules | 148.4 |
Numbers in parentheses refer to highest resolution shell except for unit cell, where standard deviation for a, b, c are given in parentheses.