Data collection and refinement statistics (PDB ID 4h87).

aHighest resolution shell in parentheses.bPercentage of residues in favored regions of Ramachandran plot (No. outliers in parenthesis).cThis value represents the total B that includes TLS and residual B components (Wilson B-value in parenthesis).ESU = Estimated Standard Uncertainty in coordinates.Rmerge = ΣhklΣi|Ii(hkl)-|/ΣhklΣiIi(hkl), Rmeas(redundancy-independent Rmerge) = Σhkl[Nhkl/(Nhkl-1)]1/2Σi|Ii(hkl)-|/ΣhklΣiIi(hkl), and Rpim(precision-indicating Rmerge) = Σhkl[1/(Nhkl-1)]1/2Σi|Ii(hkl)-|/ΣhklΣiIi(hkl).Rcryst = Σ| |Fobs|-|Fcalc| |/Σ|Fobs|, where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.Rfree = as for Rcryst, but for 5.0% of the total reflections chosen at random and omitted from refinement.Data collection and refinement statistics (PDB ID 4h87).

a 括号内给出最高分辨率壳层。b 拉氏构象图（Ramachandran plot）偏好区域的残基占比（括号内为异常残基数目）。c 该值为包含 TLS 与残余 B 因子的总 B 因子（括号内给出威尔逊 B 值（Wilson B-value））。ESU 指坐标的估计标准不确定度（Estimated Standard Uncertainty）。Rmerge = ΣₕₖₗΣᵢ|Iᵢ(hkl) - ⟨I⟩(hkl)| / ΣₕₖₗΣᵢIᵢ(hkl)，Rmeas（无冗余独立Rmerge，redundancy-independent Rmerge）= Σₕₖₗ[Nₕₖₗ/(Nₕₖₗ - 1)]^½Σᵢ|Iᵢ(hkl) - ⟨I⟩(hkl)| / ΣₕₖₗΣᵢIᵢ(hkl)，Rpim（精度指示型Rmerge，precision-indicating Rmerge）= Σₕₖₗ[1/(Nₕₖₗ - 1)]^½Σᵢ|Iᵢ(hkl) - ⟨I⟩(hkl)| / ΣₕₖₗΣᵢIᵢ(hkl)。Rcryst = Σ| |F_obs| - |F_calc| | / Σ|F_obs|，其中F_calc与F_obs分别为计算所得与观测所得的结构因子振幅。Rfree 的计算规则与Rcryst一致，但选取总反射数的5.0%作为随机子集且未纳入精修流程。数据收集与精修统计信息（PDB ID：4h87）。