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Table 2 Data collection and refinement statistics

From: Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome

Structural data CL-K1 trimer CL-K1 + Man 2
PDB code 4YLI 4YMD
Data collection   
Beamline Diamond I04 Diamond I04-1
Space group P 1 21 1 P 1 21 1
a, b, c, Å 73.0 107.6 77.8 71.9 106.7 78.4
α, β, γ, ° 90, 91.5, 90 90, 92.2, 90
Resolution, Å 48.21-2.45 (2.538-2.45) 44.08-2.87 (2.973-2.87)
R sym 0.054 (0.48) 0.052 (0.54)
I/σI 10.1 (2.0) 11.2 (1.8)
Completeness, % 95.5 (87.2) 91.0 (93.6)
Redundancy 3.3 (3.1) 2.9 (2.9)
Refinement   
Resolution, Å 48.21-2.45 (2.538-2.45) 44.08-2.87 (2.973-2.87)
Unique reflections 42224 (3791) 24670 (2518)
R work /R free 0.1869/0.2212 0.2129/0.2607
No of atoms 7332 7220
Protein 7162 7062
Ligands/ion 121 152
water 49 6
B-factors, Å 2 74.5 93.2
macromolecules 74.5 93.0
ligands 76.4 105.6
water 60.7 62.6
rms deviations   
Bond lengths, Å 0.003 0.003
Bond angles, ° 0.62 0.77
  1. The highest-resolution shell is shown in parentheses.