Skip to main content
. 2015 Oct;192(1):88–99. doi: 10.1016/j.jsb.2015.08.009

Table 2.

Refinement statistics.

CPV4 Cell 1 CPV4 Cell 2 CPV5 CPV5 SeMet CPV14 CPV15 CPV17 room temp CPV17 frozen CPV18 CPV19 CPV20 CPV1Δ CPV4Δ
Resolution (Å) 29.4–1.72 28.0–2.00 51.2–1.61 36.1–2.07 32.4–1.91 42.0–1.82 28.30–1.75 74.16–2.20 72.7–1.48 41.9–1.51 51.7–1.83 42.4–1.88 27.9–1.71
No. of reflections 17233 11542 23282 10889 11856 16408 20122 9376 30414 20976 16323 15016 19908
Rwork/Rfree 0.118/0.166 0.175/0.239 0.159/0.197 0.169/0.228 0.141/0.184 0.162/0.220 0.122/0.154 0.147/0.199 0.130/0.148 0.166/0.228 0.157/0.190 0.189/0.251 0.185/0.216
No. of atoms
 Protein 2028 1637 2002 2002 2022 1952 1914 1907 2001 2058 1979 1686 1628
 Ligand (#NTPs) 0 0 0 1 (0) 32 (1) 89 (2) 32 (1) 32 (1) 63 (2) 32 (1) 29 (1) 0 0
 Water 176 92 166 112 165 176 174 146 246 235 161 101 136
B-factors
 Protein 13.2 22.8 12.6 14.2 12.7 16.7 23.7 22.5 8.4 14.3 21.4 36.0 26.9
 Ligand 51.0 49.8 28.4 34.4 50.0 31.0 18.5 47.1
 Water 20.1 28.4 19.6 16.3 17.3 21.8 32.7 32.2 16.8 20.8 25.6 36.1 37.0
rmsd
 Bond lengths (Å) 0.006 0.006 0.008 0.006 0.006 0.007 0.010 0.013 0.005 0.007 0.003 0.003 0.003
 Bond angles (°) 1.09 0.98 1.19 1.02 1.08 1.28 1.39 1.675 1.146 1.12 0.83 0.79 0.74
rmsZ
 Bond length 0.39 0.34 0.41 0.32 0.40 0.37 0.50 0.68 0.30 0.38 0.23 0.26 0.23
 Bond angles 0.56 0.52 0.58 0.49 0.57 0.53 0.63 0.82 0.52 0.53 0.43 0.44 0.42
Model quality (Ramachandran plot)
 Most favoured (%) 98.8 98.0 98.0 97.6 96.0 96.6 97.9 97.4 97.6 97.6 97.9 97.1 98.0
 Allowed (%) 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0
 PDB ID code 5A8S 5A8T 5A8U 5A8V 5A96 5A98 4S1L 4S1K 5A9P 5A99 5A9A 5A9B 5A9C