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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.