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. Author manuscript; available in PMC: 2011 Feb 15.
Published in final edited form as: Proteins. 2010 Feb 15;78(3):575–588. doi: 10.1002/prot.22582

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.