Table 2. YMTase X-ray data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
Space group | P21212 |
Unit-cell parameters (Å) | a = 58.7, b = 126.6, c = 156.1 |
Resolution (Å) | 40.00–2.80 (2.95–2.80) |
Mosaicity (°) | 0.4 |
No. of unique reflections | 27356 (4028) |
Completeness (%) | 93.3 (95.4) |
Redundancy | 3.0 |
Rmerge† (%) | 14.0 (57.6) |
Average I/σ(I) | 9.1 (1.9) |
R factor‡ (%) | 37.8 |
Rfree§ (%) | 42.1 |
R
merge =
× 100, where I is the intensity of a reflection and 〈I〉 is the average intensity.
R factor =
| × 100.
R free is calculated from a randomly selected 5% of data for cross-validation.