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. 2013 Sep 20;8(9):e75836. doi: 10.1371/journal.pone.0075836

Table 1. Crystallographic data collection and refinement statistics for MMP-10cd/TIMP-2 complex.

PDB ID 4ILW
Complexes per ASU 2
Space group P1
Unit cell, Å 37.69, 56.93, 82.59 76.14°, 79.84°, 71.25°
Resolution, Å 2.1
Unique reflections 35606
Completeness, % 97.66 (94.0)a
Multiplicity 3.1 (2.6)a
Mean I/(σ) 11.2 (2.2)a
R -merge 0.073 (0.415)a
Wilson B-factor, Å2 38.2
Rcryst/Rfree (%) 0.216/0.263
Average B-factor, Å2 41.4
Protein atoms 5378
Water molecules 160
R.m.s.d. bonds, Å 0.014
R.m.s.d. angles, ° 1.667
Φ,Ψ angle distributionb In favored regions 628 (93.18%)
In allowed regions 661 (98.07%)
Outliers 13 (1.93%)
a

Values in parentheses are for the highest resolution shell (2.14–2.1 Å).

b

Ramachandran distribution is reported as defined by Molprobity/PDB validation.