Statistics of crystallographic analysis for pepQ.

1One crystal was used to collect each of the dataset.2Values in parentheses are for highest-resolution shell.3Rsym = ∑h∑i|Ii,hkl–Ihkl>|/∑hkl∑i |Ii,hkl|, where Ihkl,i is the intensity measured for a given reflection with Miller indices h, k, and l, and Ihkl> is the mean intensity of that reflection.4Rwork = ∑||Fo|−|Fc||/∑|Fo|, where Fo and Fc are the observed and calculated structure-factor amplitudes, respectively.5Rfree was calculated as Rwork using a randomly selected subset (10%) of unique reflections not used for structure refinement.Statistics of crystallographic analysis for pepQ.1. 本数据集的每组衍射数据均通过单颗晶体采集获得。 2. 括号内数值对应最高分辨率衍射壳层。 3. Rsym = ∑ₕ∑ᵢ|I_{i,hkl} – ⟨I_{hkl}⟩| / ∑_{hkl}∑ᵢ |I_{i,hkl}|，其中I_{i,hkl}为米勒指数（Miller indices）为h、k、l的特定衍射点的测量强度，⟨I_{hkl}⟩为该衍射点的平均强度。 4. Rwork = ∑||F_o| – |F_c|| / ∑|F_o|，其中F_o与F_c分别为观测结构因子振幅与计算结构因子振幅（structure-factor amplitudes）。 5. Rfree的计算方式与Rwork一致，其采用随机选取的10%独立衍射点子集进行计算，该子集未参与结构精修（structure refinement）。 pepQ的晶体学分析统计结果。