Table 1. Data collection and refinement statistics.
Space group | P 21212 |
---|---|
Unit cell dimensions a, b, c (Å) | 84.2, 124.9, 165.1 |
Molecules/asymmetric unit | 3 heterotrimers* |
Wavelength (Å) | 0.969 |
Resolution limits | 29.6–3.18 |
Temperature | 100 K |
Number of total reflections | 186 606 |
Number of unique reflections | 29 071 |
Completeness (%) | 96.9 (82.3)** |
Redundancy | 6.4 (5.4) ** |
I/sigma(I) | 12.4 (1.7)** |
Resolution range | 29.6–3.18 |
Rmeas | 14.7 (98.3) |
CC1/2 | 99.7 (67.0) |
Rwork/Rfree % | 23.33 / 26.06 |
Number of atoms | 11 754 |
Number of residues | 1504 |
Number of water molecules | 2 |
Root mean square deviation (RMSD) bonds (Å) | 0.0091 |
Root mean square deviation (RMSD) angles (°) | 1.10 |
Average B-factors (protein) (Å2) | 91.13 |
*H-chain (OspE) from the trimer BE(H) was not modeled in the final structure because the electron density was too weak to trace
**in parentheses for the highest resolution shell.