Table 1 Crystal parameters and statistics of data collection and refinement
Crystal information | |
|---|---|
Space group | I222 |
Unit cell parameters (Å) | a = 168.5, b = 406.0, c = 693.0 |
Diffraction data statistics | |
X-ray source/Energy | ID14-4, ESRF, 13.7 keV |
ID19, SBC/APS, 12.0 keV | |
Crystal oscillation | 0.1° |
Resolution (Å) | 30-3.42 (3.54-3.42) |
Completeness (%) | 90.2 (81.1) |
Rsym (%) | 16.4 (42.8) |
I/σ(I) | 11.5 (2.2) |
No. of reflections measured | 2 370 831 |
No. of unique reflections | 282 979 |
Refinement statistics | |
R factor (%) | 27.8 |
Rfree (%) | 34.8 |
Bond distances rms (Å) | 0.007 |
Bond angles rms | 1.13° |