Table 2 Refinement and Quality of Refined Models
Protein | HoloCotA | apoCu(I) |
|---|---|---|
No. of protein atoms | 4131 | 4119 |
No. of solvent atoms | 527 | 518 |
No. of hetero atoms | 4 | 4 |
Final R-factor | 0.189 | 0.177 |
Final free R-factor | 0.206 | 0.215 |
Mean B values (Å2) | ||
: protein | 22.6 | 24.3 |
: solvent | 33.5 | 32.9 |
: overall | 22.3 | 25.3 |
Estimated overall coordinate uncertainty (Å) ‡ | 0.092 | 0.089 |
Distance deviations † | ||
Bond distances (Å) | 0.006 | 0.009 |
Bond angles (°) | 0.993 | 1.145 |
Planar groups (Å) | 0.004 | 0.004 |
Chiral volume deviation (Å3) | 0.067 | 0.077 |
Ramachandran analysis % | ||
Favourable | 97.2 | 97.8 |
Allowed | 2.8 | 2.2 |
Disallowed | 0.0 | 0.0 |