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. 1999 Jul 20;96(15):8384–8389. doi: 10.1073/pnas.96.15.8384

Table 1.

Crystallographic data

Protein D128A D128A/biotin
Space group P21 P21212
Unit cell parameters a = 48.0, b = 66.3, c = 82.3 Å; β = 97.3° a = 55.7, b = 84.8, c = 50.0 Å
No. of tetramers per unit cell 2 2
Contents of the asymmetric unit Tetramer Dimer
Packing parameter VM, Å3/Da 2.9 2.5
Measured reflections, no. 56,045 39,212
Unique reflections, no. 31,972 14,716
Completeness
 Overall, % 85.0 88.0
 Outermost shell, % 46.0 43.0
Rmerge overall 0.03 0.05
Refinement
 Nonhydrogen atoms, no. 3,416 1,783
 Water molecules, no. 178 104
R factor* 0.167 0.156
 Free R factor 0.243 0.243
 Average B factor,2 32 31
 Ramachandran quality§ 0.91 0.89
*

For all data with F > 4σ(F), R = ΣhklFo| − |Fc∥/Σhkl |Fo|. 

For 10% of data with F > 4σ(F). 

For all atoms. 

§

Fraction (except Gly and Pro) in most favored regions (30).