The MbCO Refinements
The following different refinement methods were compared for
the MbCO dataset:
- Isotropic
- Standard single-site refinement
- "Hand-Crafted" by D. K. Rose, et al
- Used 9 residues with 2 conformations.
- Used 1 residue with 3 conformations.
- Time-averaged
- Data from 10-1.3 Angstrom resolution used.
- Time-Average Derived
- Attempt to mimick the "Hand-Crafted" refinement by letting the
SVD/Kurtosis pick which residues should be used based on the results of a
time-averaged refinement.
- Two conformations for the first 6 residues with the lowest coefficient of
kurtosis were used.
- Two conformers for his64 allowed.
- Multi-conformer
- Four distinct conformers were used with one set of solvent.