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. 2014 Aug 29;70(Pt 9):2413–2419. doi: 10.1107/S1399004714014631

Table 1. Medians of the B factors scaled by the unity-based algorithm (1) and the numbers of amino acids, nucleotides and water residues in various environments.

The residues were extracted from the structures of nonredundant protein–DNA complexes with data-collection temperature lower than 180 K sorted into three resolution bins. Bin R1 contains 165 structures with a crystallographic resolution of 1.9 Å or better, bin R2 contains 357 structures with resolution 1.9–2.5 Å and bin R3 contains 187 structures with resolution 2.5–3.0 Å. The median values listed in this table were calculated for the backbone (BB) atoms of the residues. More complete statistics can be found in Supplementary Table S1.

  Resolution ≤1.9 Å Resolution 1.9–2.5 Å Resolution 2.5–3.0 Å
Type of residue Median Residues§ Median Residues§ Median Residues§
buried aa 14 19085 20 46934 26 33693
exposed aa 32 6531 39 18687 45 15025
partially buried aa 26107 70042 53510
protein–protein aa 21 2202 23 7258 29 5240
protein–symprotein aa 2693 5799 3744
protein–DNA aa 19 2625 23 8147 29 5685
DNA–protein nt 31 1737 35 5726 36 4146
exposed nt 51 2120 54 7676 54 5240
bridge w 28 3370 27 6285 27 1109
surface w 52 10878 44 16360 33 3267

Definitions of the residue classes are given in §2.

Median values are listed for the backbone atoms; the medians for the side-chain atoms can be found in Supplementary Table S1.

§

Numbers of residues in the listed classes.