Table 1. X-ray diffraction data of the Ccd1 DIX domain crystal.
Values in parentheses are for the highest resolution shell.
| SeMet derivative | ||||
|---|---|---|---|---|
| Native | Peak | Edge | Remote | |
| Space group | P212121 | P212121 | P212121 | P212121 |
| Unit-cell parameters (Å) | ||||
| a | 72.9 | 72.9 | 72.9 | 72.9 |
| b | 75.7 | 78.6 | 78.6 | 78.7 |
| c | 125.6 | 125.9 | 125.9 | 126.0 |
| Wavelength (Å) | 1.0000 | 0.9748 | 0.9793 | 0.9641 |
| Resolution (Å) | 50–3.0 (3.11–3.00) | 50–3.2 (3.31–3.20) | 50–3.2 (3.31–3.20) | 50–3.2 (3.31–3.20) |
| Reflections | ||||
| Measured | 89162 | 148041 | 148755 | 148091 |
| Unique | 14312 | 11893 | 11857 | 11848 |
| Multiplicity | 6.2 (4.5) | 12.5 (8.4) | 12.6 (8.6) | 12.5 (8.7) |
| Completeness (%) | 99.0 (91.6) | 95.5 (72.5) | 95.2 (70.1) | 95.0 (68.6) |
| Mean I/σ(I) | 16.3 (2.3) | 15.3 (2.0) | 17.0 (2.2) | 14.5 (2.2) |
| Rmerge† (%) | 10.7 (52.8) | 14.7 (54.7) | 13.8 (51.2) | 14.4 (54.8) |
†
R
merge = 
, where Ii(hkl) is the ith observed intensity of reflection hkl and 〈I(hkl)〉 is the average intensity over symmetry-equivalent measurements.