Crystallographic data and refinement statistics.

aRsym = ∑|Ii–|/|Ii| where Ii is the intensity of the ith measurement, and is the mean intensity for that reflection. bReflections with I>σ was used in the refinement. cRwork = |Fobs–Fcalc|/|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively. dRfree = as for Rwork, but for 5% of the total reflections chosen at random and omitted from refinement. eIndividual B-factor refinements were calculated. *The high resolution bin details are in the parenthesis.a. 相对对称一致性因子（aRsym）= ∑|Ii – ⟨Ii⟩| / ∑|Ii|，其中Ii为第i次测量的衍射强度，⟨Ii⟩为该衍射的平均强度。 b. 仅将强度大于标准差σ的衍射纳入精修过程。 c. 工作R因子（Rwork）= |Fobs – Fcalc| / |Fobs|，其中Fcalc与Fobs分别为计算得到的结构因子振幅与观测得到的结构因子振幅。 d. 自由R因子（Rfree）的定义与Rwork一致，但选取总衍射数的5%进行随机挑选，并将其排除在精修范围之外。 e. 完成了单独的B因子（B-factor）精修计算。 *高分辨率分箱细节详见括号内内容。