Table 1. Summary of crystallographic data for F. tularensis Pth.
Data collection | |
Wavelength (Å) | 1.54 |
Resolution (Å) | 50.0–2.25 (2.33–2.25) |
Space group | P21212 |
Unit-cell parameters | a = 60.7, b = 93.0, c = 33.0 |
Unique reflections | 9412 |
Total no. of reflections | 62322 |
Multiplicity | 7 |
Completeness (%) | 100 (100) |
〈I/σ(I)〉 | 14.4 (4.0) |
Rmerge (%) | 14.0 (49.0) |
Structure refinement | |
No. of amino-acid chains | 1 |
No. of protein atoms | |
Main chain | 758 |
Side chain | 706 |
Total | 1458 |
No. of solvent molecules | 51 |
No. of other atoms | 21 |
Resolution range (Å) | 33.0–2.25 |
R factor (%) | 19.0 |
Rfree (%) | 24.8 |
Average protein-chain B factor (Å2) | |
Main chain | 24.3 |
Side chain | 25.7 |
Total | 25.0 |
Average solvent B factor (Å2) | 24.2 |
Average B factor for other atoms (Å2) | 34.3 |
R.m.s.d. covalent bond lengths (Å) | 0.013 |
R.m.s.d. bond angles (°) | 1.291 |
Missing residues | N-terminal hexahistidine tag, Met1 |