Table 1.
12A-9 | |
Diffraction data | |
Space group | P21212 |
Unit cell (Å) (a,b,c) | 38.27,68.32,39.51 |
Resolution (Å) (outer shell) | 34.2–2.1 (2.15–2.1) |
Wavelength (Å) | 1.000 |
Measured reflections | 43,653 |
Unique reflections | 6048 |
Multiplicity | 7.2 (6.3) |
Completeness (%) (outer shell) | 98.6 (100) |
I/σ (I) (outer shell) | 15.2 (2.0) |
χ2 (outer shell) | 1.03 (0.97) |
Rmerge (%) | 12.6 |
Refinement | |
Resolution range (Å) | 34.2–2.10 |
R % (outer shell) | 21.7 (29.5) |
Rfree % (outer shell) | 28.0 (39.9) |
RMS deviations: | |
Bond length (Å) | 0.012 |
Bond angles (deg.) | 1.494 |
Average B values (Å2) | 49.9 |