Statistics of data collection and refinement for UbiD2 from P. aeruginosa.

Values in parenthesis are for the highest resolution shell.R†merge = ∑hkl ∑i |Ii(hkl)–〈I(hkl)〉|/∑hkl ∑iIi(hkl), where Ii(hkl) is the intensity of an individual reflection and 〈I(hkl)〉 is the average intensity for multiple measurements of that reflection. R‡work = ∑hkl||Fobs|–||Fcalc||/∑hkl |Fobs|, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively, for 95% of the reflection data used in the refinement. R§free = ∑hkl||Fobs|–||Fcalc||/∑hkl |Fobs| for 5% of the reflection excluded from the refinement.$The twinning operator is shown in parenthesis.

括号内的数值对应最高分辨率壳层。R†merge = ∑ₕₖₗ∑ᵢ|Iᵢ(hkl)–⟨I(hkl)⟩| / ∑ₕₖₗ∑ᵢIᵢ(hkl)，其中Iᵢ(hkl)为单次衍射反射的强度，⟨I(hkl)⟩为该反射多次测量的平均强度。R‡work = ∑ₕₖₗ||Fobs|–|Fcalc|| / ∑ₕₖₗ|Fobs|，其中Fobs与Fcalc分别为精修所用95%衍射数据的观测结构因子振幅与计算结构因子振幅。R§free = ∑ₕₖₗ||Fobs|–|Fcalc|| / ∑ₕₖₗ|Fobs|，对应精修过程中被排除的5%衍射数据。$孪生操作符以括号形式标注。