Table 1 Data collection, refinement and model quality statistics for Mfa4.
selenomethionine-substituted Mfa426–333 | |
|---|---|
Data processing | |
Space group | P21P21P21 |
Cell dimensions a, b, c (Å) | 54.68, 84.54, 138.36 |
Resolution (Å) | 1.90 |
Highest resolution shell (Å) | 2.00–1.90 |
Total observations | 327588 |
Unique reflections | 51290 |
<I/σ (I) a > | 16.0 (3.4) |
Rpima(%) | 2.7 (20.6) |
Completeness (%) a | 99.5 (97.8) |
Overall redundancy a | 6.4 (6.2) |
Refinement | |
No. of reflections in working set | 48676 |
No. of reflections in test set | 2614 |
Rwork/Rfree (%) | 18.4/22.9 |
RMSD from ideal | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.12 |
Wilson B-factor (Å2) Average B-factors (Å2) | 32.1 |
Protein (A, B) | 42, 9, 55, 7 |
Water | 37.6 |
Ramachandran plot (%) | |
Favored, allowed | 97.7, 0.5 |
