Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution bin.
| Selenomethionine derivative | |||||
|---|---|---|---|---|---|
| Native | Peak | Edge | High remote | Low remote | |
| X-ray source | 4A, PAL | NW12, PF | |||
| Wavelength (Å) | 1.00000 | 0.97923 | 0.97942 | 0.96000 | 0.98000 |
| Space group | P3121 or P3221 | P3121 or P3221 | |||
| Unit-cell parameters (Å) | a = 55.81, c = 82.74 | a = 56.36, c = 82.60 | a = 56.41, c = 82.66 | a = 56.44, c = 82.70 | a = 56.49, c = 82.76 |
| Resolution (Å) | 3.0 (3.11–3.0) | 2.4 (2.49–2.40) | 2.4 (2.49–2.40) | 2.4 (2.49–2.40) | 2.4 (2.49–2.40) |
| Unique reflections (no cutoff) | 3242 | 6273 | 6270 | 6293 | 6265 |
| Total reflections (no cutoff) | 34806 | 63521 | 62425 | 62157 | 60947 |
| Completeness (%) | 99.9 (99.8) | 99.4 (97.5) | 99.4 (97.5) | 99.4 (96.9) | 98.8 (92.0) |
| Redundancy | 10.7 (11.7) | 10.1 (8.6) | 10.0 (7.5) | 9.9 (6.5) | 9.7 (5.7) |
| 〈I/σ(I)〉 | 53.1 (12.79) | 60.8 (4.25) | 59.0 (3.11) | 57.3 (2.48) | 56.3 (2.00) |
| Rmerge (%) | 7.5 (41.7) | 6.9 (41.2) | 6.6 (53.2) | 6.2 (55.2) | 5.7 (59.6) |