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. 2012 Apr 4;20-178(4):688–697. doi: 10.1016/j.str.2012.02.011

Table 1.

Crystallographic Statistics of the DDR1-3E3 Fab Structure

Data Collection Value
Space group C2221
Unit cell dimensions
a, b, c (Å) 102.51, 251.48, 75.37
α, β, γ (°) 90, 90, 90
Asymmetric unit content 1:1 DDR1-3E3 Fab complex
Solvent content (%) 57
Resolution (Å) 50–2.8 (2.95–2.80)a
Rmerge 0.079 (0.429)
<I/σ(I) > 14.3 (3.8)
Completeness (%) 98.7 (98.9)
Multiplicity 6.0 (6.1)

Refinement

Resolution (Å) 20–2.8
Reflections 24035
Protein atoms 2700 (DDR1) + 3169 (3E3 Fab)
Solvent atoms 2 Ca2+ + 14 H2O
Rwork/Rfree 0.216/0.286
Rmsd bonds (Å) 0.007
Rmsd angles (°) 1.4
Average B-factor (Å2) 53.6
Ramachandran plot (%)b 91.3/98.1
a

Values in parentheses are for the highest resolution shell.

b

Percentage of residues in favored and allowed regions (Chen et al., 2010).