- PDB-5qi5: PanDDA analysis group deposition of models with modelled events (... -
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基本情報
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データベース: PDB / ID: 5qi5
タイトル
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
タイプ
changed state
解説
human PARP14 Macrodomain 3 screened against the DSPL Fragment Library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1
解像度: 1.05→55.39 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.967 / SU B: 0.868 / SU ML: 0.019 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.036 / ESU R Free: 0.035 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.1652
2859
5.1 %
RANDOM
Rwork
0.1394
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obs
0.1407
52746
73.86 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK