# Table 3 Data-collection statistics

Beamline BL17U1
Beam size 70 × 50 μm
Wavelength (Å) 0.97915
Crystal-to-detector distance (mm) 350
Data-collection temperature (K) 100
Oscillation range per frame (o) 1
Exposure time per frame (s) 1
Images taken 180
Resolution (Å) 50–2.55 (2.64–2.55)
Space group P3
Mosaicity (o) 0.4
Unit-cell parameters (Å, o) a = 68.5, b = 68.5, c = 237.0, α = 90, β = 90, γ = 120
Estimated No. of molecules per asymmetric unit 4
Matthews coefficient (Å3 Da−1) 2.77
Solvent content (%) 55.6
No. of observed reflections 230, 849
No. of unique reflections 40, 314
Completeness (%) 99.7 (99.6)
Multiplicity 5.7 (5.7)
Average I/σ(I) 18.1 (2.2)
R merge a (%) 9.2 (87.2)
1. Values in parentheses are for the outermost resolution shell
2. a R merge = $$\mathop \sum \limits_{{\varvec{hkl}}} \mathop \sum \limits_{\varvec{i}} \left| {\varvec{I}_{\varvec{i}} \left( {\varvec{hkl}} \right) - \varvec{ I}(\varvec{hkl})} \right|/\mathop \sum \limits_{{\varvec{hkl}}} \mathop \sum \limits_{\varvec{i}} \varvec{I}_{\varvec{i}} \left( {\varvec{hkl}} \right)$$, where $$\varvec{I}_{\varvec{i}} \left( {\varvec{hkl}} \right)$$ is the intensity of observation i of reflection hkl