Table 1.
Data collection | |
---|---|
Space group | P 3 |
Unit cell (a, b, c (Å)) | 76.8, 76.8, 31.8 |
Wavelength (Å) | 1.0 |
Resolution (Å) | 50.0–2.5 (2.54–2.50)a |
Rmerge | 0.097 (0.376) |
I/σ | 24.5 (3.6) |
Completeness (%) | 99.9 (97.8) |
Redundancy | 5.0 (4.7) |
No. of unique reflections | 7,313 |
Refinement | |
Rwork/Rfree (%) | 21.6/24.6 |
No. of atoms (average B factor (Å2)) | |
Protein | 1449 (63.2) |
Water | 30 (64.9) |
Acetate, sulfate, glycerol | 30 (81.6) |
Ramachandran plot (%) | |
Favored | 95.7 |
Allowed | 4.3 |
Root mean square deviation | |
Bond length (Å) | 0.01 |
Bond angles (deg) | 0.74 |
a Values in parentheses indicate highest-resolution shell.