Table II. Data collection statistics.
Mn2+ complex | Mg2+ complex | Se-Met λ1 | λ2 | λ3 | |
---|---|---|---|---|---|
Beamline | rotating anode | rotating anode | BM14 | BM14 | ID14-EH2 |
Resolution (Å) | 2.1 | 2.7 | 1.7 | 1.7 | 1.45 |
Wavelength (Å) | 1.5418 | 1.5418 | 0.97858 | 0.97873 | 0.93260 |
Measurements | 118 332 | 36 432 | 231 134 | 233 816 | 278 438 |
Unique reflections | 26 234 | 13 683 | 38 216 | 38 330 | 31 964 |
<Redundancy> | 4.5 | 2.7 | 6.0 | 6.2 | 8.7 |
Completenessa (%) | 94.7 (92.9) | 95.2 (99.7) | 98.6 (87.7) | 98.7 (86.5) | 98.1 (99.8) |
Rmergea (%) | 8.7 (27.5) | 7.8 (26.9) | 3.1 (12.6) | 2.8 (12.1) | 6.9 (27.2) |
Space group | P212121 | P212121 | P3221 | P3221 | P3221 |
aValues for the last resolution shell.