Table III. Refinement statistics.
|
APO |
ADP |
Residues | 1: 1–320; | A: 1–63; 68–320 |
2: 1–211, 217–319 | B: 1–63; 68–320 | |
Water, cofactor | 282 | 370, Mg-ADP |
Resolution (Å) | 2.3 | 2.0 |
Twinning fractiona | 0.50 | |
R-factor, Rfreeb | 0.217, 0.266 | 0.221, 0.252 |
B averagec (Å2) | 42.7 | 37.6 |
Geometry bonds (Å)/angles (°)d | 0.006, 1.193 | 0.008, 1.381 |
Ramachandrane (%) | 88.5/0.0 | 90.8/0.0 |
PDB IDf | 1MWK | 1MWM |
aTwinning fraction as used in refinement, operator h, –k, –l.
bFive per cent of reflections were randomly selected for determination of the free R-factor (taking twinning into account where appropriate), prior to any refinement.
cTemperature factors averaged for all atoms.
dR.m.s.ds from ideal geometry for bond lengths and restraint angles (Engh and Huber, 1991).
ePercentage of residues in the ‘most favoured region’ of the Ramachandran plot and percentage of outliers (PROCHECK; Laskowski et al., 1993).
fPDB identifiers for coordinates and structure factors, respectively.