Skip to main content
. 2012 Jun 4;109(25):9721-9726. doi: 10.1073/pnas.1204598109

Table 1.

Data collection and refinement statistics

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.