Skip to main content
. 2015 Oct 23;71(Pt 11):1378–1383. doi: 10.1107/S2053230X15017549

Table 2. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Wavelength () 0.98
Resolution range () 47.012.78 (2.882.78)
Space group P6522
Unit-cell parameters (, ) a = b = 158.24, c = 387.76, = 120
Total reflections 3101724 (312087)
Unique reflections 72775 (7136)
Multiplicity 42.6 (43.7)
Completeness (%) 99.88 (99.99)
Mean I/(I) 25.72 (2.54)
Wilson B factor (2) 56.3
R merge 0.20 (2.26)
R meas 0.21
Reflections used for R free (%) 5
R work 0.21 (0.30)
R free 0.24 (0.35)
No. of non-H atoms
Total 13098
Macromolecules 12841
Ligands 144
Water 113
No. of protein residues 1629
R.m.s.d., bonds () 0.003
R.m.s.d., angles () 0.70
Ramachandran favoured (%) 97.0
Ramachandran allowed (%) 2.8
Ramachandran outliers (%) 0.2
Clashscore 1.52
Average B factor (2)
Overall 60.9
Macromolecules 60.5
Ligands 106.1
Solvent 47.6