Table 1. Summary of X-ray data for NovP.
Values in parentheses are for the outer resolution shell.
| Data set | High-resolution pass | Low-resolution pass | Merged data set |
|---|---|---|---|
| Resolution range (Å) | 13.5–1.40 (1.42–1.40) | 36.3–2.46 (2.55–2.46) | 36.3–1.40 (1.42–1.40) |
| Unique reflections | 53540 | 10190 | 54638 |
| Completeness (%) | 97.1 (90.2) | 99.1 (95.4) | 98.8 (89.5) |
| Redundancy | 2.9 | 3.1 | 3.4 |
| Rmerge† | 0.044 (0.166) | 0.035 (0.054) | 0.057 (0.164) |
| 〈I/σ(I)〉 | 14.7 (4.2) | 36.6 (23.6) | 18.1 (4.2) |
| Wilson B value (Å2) | 16.9 | 30.7 | 17.6 |
†
R
merge = 
, where I
l is the lth observation of reflection h and 〈I
h〉 is the weighted average intensity for all observations l of reflection h.