All 364 structures of this series were generated by an automated refinement pipeline and, thus, not ...All 364 structures of this series were generated by an automated refinement pipeline and, thus, not refined to full convergence (e.g. since no manual (re-)building was performed, fragments are missing in the structural model even when present as indicated by the electron density)
温度: 290 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 4.6 詳細: 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystal obtained by streak-seeding and soaked with 90 mM of fragment 51 with the SMILES code O=C1NC2=CC=C(NCC3=CC=CC=N3)C=C2N1
解像度: 1.669→42.52 Å / SU ML: 0.16 / 交差検証法: THROUGHOUT / σ(F): 1.36 / 位相誤差: 18.5 / 立体化学のターゲット値: ML 詳細: All 364 structures of this series were generated by an automated refinement pipeline and, thus, not refined to full convergence (e.g. since no manual (re-)building was performed, fragments ...詳細: All 364 structures of this series were generated by an automated refinement pipeline and, thus, not refined to full convergence (e.g. since no manual (re-)building was performed, fragments are missing in the structural model even when present as indicated by the electron density)
Rfactor
反射数
%反射
Selection details
Rfree
0.1976
1849
5 %
RANDOM
Rwork
0.1444
35108
-
-
obs
0.1471
36957
99.3 %
-
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL