Skip to main content
. 2015 Feb 19;71(Pt 3):304–310. doi: 10.1107/S2053230X15001806

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the outer resolution shell.

Space group P1
Unit-cell parameters (, ) a = 80.2, b = 82.6, c = 95.1, = 80.9, = 73.7, = 89.9
No. of molecules in asymmetric unit 4
V M (3Da1) 2.1
Solvent content (%) 42
Resolution range () 42.82.50
Total No. of measured reflections 128462
No. of unique reflections 73405
Overall completeness of data (%) 93.0 (81.1)
Overall R sym (%) 5.1 (35.8)
I/(I) 14.4 (1.7)
R cryst (%) 24.6
R free (%) 28.4
Protein atoms 19016
Water O atoms 695
Carbohydrate atoms 280 [20 NAG]
Ligand atoms 44 [4 PTU]
R.m.s.d.
Bond lengths () 0.01
Bond angles () 1.81
Torsion angles () 17.8
Wilson B factor (2) 35.5
Mean B factor (2)
Main-chain atoms 40.5
Side-chain atoms 45.2
Water O atoms 38.4
Glycan chain atoms 58.6
PTU atoms 59.2
All atoms 45.2
Ramachandran plot, residues in (%)
Most allowed regions 91.6
Additionally allowed regions 8.4
PDB code 4qyq