- PDB-4drm: EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND F... -
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基本情報
登録情報
データベース: PDB / ID: 4drm
タイトル
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
解像度: 1.48→20 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.939 / WRfactor Rfree: 0.2039 / WRfactor Rwork: 0.1749 / Occupancy max: 1 / Occupancy min: 0.2 / FOM work R set: 0.8961 / SU B: 2.631 / SU ML: 0.045 / SU R Cruickshank DPI: 0.0746 / SU Rfree: 0.0769 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.075 / ESU R Free: 0.077 / 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 : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2082
1135
5 %
RANDOM
Rwork
0.176
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all
0.1776
22738
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obs
0.1776
21603
99.89 %
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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