Table 2. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| PBMHP-12 | BmJHBP | |
|---|---|---|
| No. of crystals | 1 | 1 |
| Space group | P1 | C2221 |
| Unit-cell parameters (Å, °) | a = 42.4, b = 50.1, c = 55.3, α = 93.4, β = 94.7, γ = 102.7 | a = 56.4, b = 117.0, c = 116.0, α = β = γ = 90.0 |
| Molecules per asymmetric unit | 2 | 1 or 2 |
| VM (Å3 Da−1) | 2.10 | 3.92 or 1.96 |
| Solvent content (%) | 41.5 | 68.6 or 37.2 |
| Temperature (K) | 100 | |
| Radiation source | Synchrotron [BESSY beamline 14.1] | |
| Wavelength (Å) | 0.918 | |
| Detector | MAR CCD 225 mm | |
| Crystal-to-detector distance (mm) | 140 | 289 |
| Rotation range per image (°) | 0.5 | 0.5 |
| Total rotation range (°) | 360 | 360 |
| Exposure time per image (s) | 5.2 | 8.0 |
| Resolution (Å) | 50–1.3 (1.4–1.3) | 50–2.9 (3.0–2.9) |
| Mosaicity† (°) | 0.44 | 0.71 |
| Total no. of measured intensities | 372101 | 116975 |
| Unique reflections | 97046 | 8793 |
| Rmerge (%) | 6.3 (30.9) | 13.3 (54.2) |
| Rmeas (%) | 7.3 (36.0) | 13.8 (56.6) |
| Multiplicity | 3.8 (3.7) | 13.3 (11.2) |
| 〈I/σ(I)〉 | 13.7 (4.64) | 17.5 (5.65) |
| Completeness (%) | 89.3 (63.8) | 99.5 (96.0) |
| Wilson B factor (Å2) | 16.3 | 41.7 |
†
As calculated by XDS (Kabsch, 2010 ▶).