Data collection | |
Space group | P3221 |
Unit cell parameters (Å,°) | a = b = 51.49, c = 168.29 a = β = 90, γ = 120 |
Solvent content (%) | ∼︀ 53 |
Resolution range (Å) | 21.4 – 2.0 |
Total no. of reflections | 131542 |
No. of unique reflections | 17663 |
Redundancy | 7.4 |
Completeness (%) | 98.9 (95.3) |
I/ς(I) | 9.2 (2.2) |
R-merge (%) | 11.3 (48.3) |
Refined model | |
R-factor (%) | 17.4 |
R-free (%) | 19.8 |
Number of non-H atoms in: | |
Protein molecule | 1685 |
Water | 85 |
SAM | 27 |
BIA 3-335 | 31 |
Mg2+ | 1 |
Average B-factor (Å2) | |
Main-chain atoms | 22.1 |
Side-chain atoms | 24.8 |
Water molecules | 33.3 |
SAM | 17.2 |
BIA 3–335 | 39.7 |
Mg2+ ion | 17.6 |
Values in parentheses refer to the outer resolution shell: 2.09 −2.02 Å.