Table 1. Data-collection statistics.
Bipyramidal crystal | Rectangular crystal | |
---|---|---|
ESRF beamline | ID23-2 | BM16 |
Wavelength | 0.87260 | 0.99992 |
Space group | P43212 | P21 |
Unit-cell parameters | ||
a (Å) | 62.53 | 57.94 |
b (Å) | 62.53 | 142.1 |
c (Å) | 277.4 | 153.9 |
α (°) | 90 | 90 |
β (°) | 90 | 90.52 |
γ (°) | 90 | 90 |
Resolution (Å) | 1.55 (1.63–1.55) | 1.80 (1.90–1.80) |
Rmerge† | 0.146 (0.761) | 0.085 (0.489) |
Rp.i.m.‡ | 0.040 (0.280) | 0.046 (0.258) |
Total No. of observations | 1150089 (94995) | 844701 (111617) |
Total No. of unique reflections | 81489 (11687) | 210751 (27382) |
Mean I/σ(I) | 14.2 (2.3) | 12.1 (2.8) |
Completeness (%) | 100.0 (100.0) | 91.9 (81.8) |
Multiplicity | 14.1 (8.1) | 4.0 (4.1) |
R merge = .
R p.i.m. = − .