Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Native | Se-Peak1 | Se-Peak2 | Se-Merged | |
|---|---|---|---|---|
| Beamline | Bessy-MX BL-14.1 | |||
| Detector | Rayonics MX-225 3 × 3 CCD detector | |||
| Temperature (K) | 100 | |||
| Wavelength (Å) | 0.95373 | 0.97966 | ||
| Space group | P21212 | P21212 | P21212 | P21212 |
| Unit-cell parameters (Å, °) | ||||
| a (Å) | 153.34 | 153.11 | 153.40 | |
| b (Å) | 163.10 | 163.18 | 163.96 | |
| c (Å) | 51.93 | 51.98 | 52.06 | |
| α = β = γ (°) | 90 | 90 | 90 | |
| Resolution range (Å) | 2.54 (2.54–2.61) | 3.4 (3.4–3.49) | 3.0 (3.0–3.08) | 3.0 (3.0–3.08) |
| Unique reflections | 43804 (3072) | 34062 (2390) | 50039 (3637) | 50308 (3639) |
| Average multiplicity | 7.05 (6.1) | 5.09 (4.74) | 2.62 (2.50) | 6.05 (2.50) |
| Completeness (%) | 99.6 (95.2) | 98.4 (91.5) | 98.9 (96.4) | 99.4 (96.4) |
| Mean I/σ(I) | 24.39 (3.17) | 13.60 (4.25) | 10.51 (2.01) | 9.86 (1.13) |
| Rmerge† (%) | 7.2 (63.2) | 10.7 (38.2) | 9.4 (52.7) | 15.1 (52.7) |
| Rmeas‡ (%) | 7.8 (69.1) | 11.9 (42.9) | 11.9 (67.4) | 16.4 (67.2) |
| Rmrgd-F§ (%) | 9.5 (55.5) | 12.3 (40.5) | 21.0 (90.8) | 17.3 (91.7) |
| Wilson B value (Å2) | 50.381 | 49.19 | 48.712 | 61.26 |






