Table 1. Data-collection and processing statistics.
Values in parentheses are for the outer resolution shell.
| Beamline | BESSY BL14.1 | ESRF ID23-2 |
| Wavelength (Å) | 0.91841 | 0.87260 |
| Detector | MX-225 | MAR/Rayonix 3 × 3 Mosaic 225 |
| Crystal-to-detector distance (mm) | 365.57 | 374.34 |
| Space group | P321 | P31 or P32 |
| Rotation range per image (°) | 0.1 | 2.0 |
| Total rotation range (°) | 88 | 110 |
| No. of crystals | 1 | 1 |
| Unit-cell parameters (Å, °) | a = b = 91.62, c = 352.82, α = β = 90.0, γ = 120.0 | a = b = 92.72, c = 156.75, α = β = 90.0, γ = 120.0 |
| Solvent content (%) | 72–35† | 70–28† |
| Matthews coefficient V M (Å3 Da−1) | 4.4–1.9† | 4.0–1.7† |
| Molecules per asymmetric unit | 3–7† | 3–7† |
| Resolution range (Å) | 44.34–3.26 (3.43–3.26) | 46.36–3.44 (3.59–3.44) |
| Unique reflections | 27708 (3833) | 19961 (2382) |
| Average multiplicity | 4.67 (4.77) | 3.60 (3.58) |
| Completeness (%) | 99.1 (99.8) | 99.8 (99.9) |
| Mean I/σ(I) | 13.37 (2.56) | 9.87 (1.92) |
| R merge ‡ (%) | 8.6 (76.2) | 12.0 (63.8) |
| R meas § (%) | 9.7 (85.5) | 14.1 (75.2) |
| CC1/2 ¶ (%) | 99.8 (76.8) | 99.4 (69.5) |
| Estimated mosaicity (°) | 0.11 | 0.22 |
| Wilson B value (Å2) | 84.8 | 71.8 |
| Estimated twin fraction (%) | 6.2 | 4.9 |
| Twin law (merohedral twinning) | −h, −k, +l | +k, +h, −l |
†
The nature of the asymmetric unit has not yet been clarified, but it is expected to contain between three and seven monomers of Strep-YhbJ.
‡
R
merge = 
.
§
R
meas = 
, where Ii(hkl) is the ith observation of reflection hkl, 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl and N is the number of observations of reflection hkl.
¶
CC1/2 is the correlation coefficient between intensities from random halves of the data set as reported by XSCALE (Kabsch, 2010 ▶).