Table 3. Data-collection and processing statistics.
Values in parentheses are for the outer shell.
| Diffraction source | PX-BL21, Indus-2, India |
| Wavelength (Å) | 0.97947 |
| Temperature (K) | 100 |
| Detector | MAR225 CCD |
| Resolution (Å) | 48–1.83 (1.86–1.83) |
| Space group | P212121 |
| Unit-cell parameters (Å, °) | a = 84.32, b = 105.51, c = 111.35, α = β = γ = 90 |
| Total No. of reflections | 617282 (19163) |
| No. of unique reflections | 88109 (4412) |
| Multiplicity | 7.0 (4.3) |
| 〈I/σ(I)〉 | 18.2 (2.1) |
| Completeness (%) | 99.9 (98.8) |
| R meas † | 8 (72) |
| Overall B factor from Wilson plot (Å2) | 16 |
R
meas =
.