Data collection and refinement statistics on the apo and complex structures of TSVZV.

a The values in the parentheses are for the highest resolution shell (3.1–3.2 Å).b The values in the parentheses are for the highest resolution shell (2.9–3.0 Å).cRmerge=[∑hkl∑i|Ii(hkl)−I¯(hkl)|][∑hkl∑iI¯(hkl)]×100, where Ii is the ith intensity measurement of reflection hkl, Ī(hkl) is the mean intensity measurement of the symmetry related or replicated reflections of the unique reflection hkl.dRfactor=[∑hkl|Fobs(hkl)−Fcalc(hkl)|][∑hklFobs(hkl)]×100, where Fobs and Fcalc are the observed and calculated structure factors respectively.e Rfree is equivalent to Rfactor but 5% of the measured reflections have been excluded from refinement and set aside for cross validation.Data collection and refinement statistics on the apo and complex structures of TSVZV.a 括号内的数值对应最高分辨率壳层（3.1–3.2 Å）。b 括号内的数值对应最高分辨率壳层（2.9–3.0 Å）。c 合并R因子（Rmerge）的计算公式为：Rmerge=[∑hkl∑i|Ii(hkl)−Ī(hkl)|][∑hkl∑iĪ(hkl)]×100，其中Ii为衍射hkl的第i次强度测量值，Ī(hkl)为唯一衍射hkl的对称等价反射或重复测量反射的平均强度。d 可靠性因子（Rfactor）的计算公式为：Rfactor=[∑hkl|Fobs(hkl)−Fcalc(hkl)|][∑hklFobs(hkl)]×100，其中Fobs与Fcalc分别为观测结构因子与计算结构因子。e 自由R因子（Rfree）的计算规则与Rfactor一致，但会从精修流程中排除5%的实测衍射反射数据，留作交叉验证使用。TSVZV的apo态与复合物结构的数据收集及精修统计。