TABLE 1.
PfACP Structure Statistics.
Disulfide-linked PfACP | Reduced PfACP | |
---|---|---|
PDB Code | 3GZL | 3GZM |
Number of Crystals | 1 | 4 |
Refinement Resolution | 2.55 – 43.56Å | 1.80 – 38.32Å |
Data Collection Temp. | 293K | 100K |
Redundancy | 5.8X (5.1X) | 60.1X (38.3X) |
Completeness | 99.7% (100%) | 100% (100%) |
Rsym/Rmerge | 6.8% (29.4%) | 19.2% (60.0%) |
No. of unique reflections | 3550 (441) | 14747 (2143) |
Total No. of atoms | 664 | 1551 |
No of solvent atoms | 0 | 175 |
R-factor | 24.180 % | 20.562 % |
R-free | 26.703 % | 27.607 % |
RMS deviations | ||
Bonds | 0.006 A | 0.020 A |
Angles | 1.005 degrees | 2.112 degrees |
Ramachandran Plot | ||
Most Favored | 93.6 % | 94.1% |
Additionally Allowed | 6.4 % | 5.9% |
Generously Allowed | 0 % | 0% |
Disallowed | 0 % | 0% |
Average B Factor | 70.027 Å2 | 22.915 Å2 |
Values in parenthesis are for the highest resolution shell. For more complete diffraction data statistics, see supplementary Fig. S5 and Fig. S6.